(1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol

C16H27NO7S — CID 15947012

IUPAC(1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol
SMILESCC1(C)O[C@H]2O[C@@H]3[C@H]4[C@@H](O)CO[C@@]3(CCN4S(=O)(=O)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C16H27NO7S/c1-14(2,3)25(19,20)17-7-6-16-11(10(17)9(18)8-21-16)22-13-12(16)23-15(4,5)24-13/h9-13,18H,6-8H2,1-5H3/t9-,10+,11+,12-,13+,16+/m0/s1
InChIKeyPZEUAUYMOJWGJM-FKCSRUCOSA-N
MW377.46 g/mol
LogP0.20
Rot. Bonds1

About (1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol

(1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol (PubChem CID 15947012) has the molecular formula C16H27NO7S and a molecular weight of 377.46 g/mol. Its IUPAC name is (1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol.

Molecular Properties

Compound Name(1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol
PubChem CID15947012
Molecular FormulaC16H27NO7S
Molecular Weight377.46 g/mol
Exact Mass377.15
IUPAC Name(1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol
SMILESCC1(C)O[C@H]2O[C@@H]3[C@H]4[C@@H](O)CO[C@@]3(CCN4S(=O)(=O)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C16H27NO7S/c1-14(2,3)25(19,20)17-7-6-16-11(10(17)9(18)8-21-16)22-13-12(16)23-15(4,5)24-13/h9-13,18H,6-8H2,1-5H3/t9-,10+,11+,12-,13+,16+/m0/s1
InChIKeyPZEUAUYMOJWGJM-FKCSRUCOSA-N
XLogP0.20
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol with MolForge

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Related Compounds

(1R,2R,6R,8R,9R,15S)-10-tert-butylsulfonyl-15-methoxy-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecane
CID 15946926
(1S,2R,3R,5R,6S,12S)-7-tert-butylsulfonyl-12-methoxy-3-phenylsulfanyl-4,10-dioxa-7-azatricyclo[4.3.3.01,5]dodecan-2-ol
CID 16667536
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxirane]
CID 85291465
(3aR,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxirane]
CID 123900115
(3aR,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,6-diol;ethane
CID 156870351
9H-fluoren-9-ylmethyl (1R,2R,6R,8R,9R)-4,4-dimethyl-15-oxo-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecane-10-carboxylate
CID 16667541
1-tert-butylsulfonyl-2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)aziridine
CID 102104472
(6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde
CID 131057504
2,2,3a-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 13122571
2-[(3'aR,5R,5'R,6'aR)-2',2'-dimethylspiro[2H-furan-5,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-5'-yl]propan-2-ol
CID 56935437
(3aR,4aR,5R,8aR,8bR)-8a-methoxy-2,2-dimethyl-8-methylidene-3a,4a,5,8b-tetrahydro-[1,3]dioxolo[4,5-b][1]benzofuran-5-ol
CID 135062532
(2S)-1-tert-butylsulfonyl-2-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]aziridine
CID 139080103

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol?
The IUPAC name of (1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol (CID 15947012) is (1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol.
What is the SMILES notation for (1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol?
The canonical SMILES for (1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol is CC1(C)O[C@H]2O[C@@H]3[C@H]4[C@@H](O)CO[C@@]3(CCN4S(=O)(=O)C(C)(C)C)[C@H]2O1.
What is the InChIKey of (1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol?
The InChIKey is PZEUAUYMOJWGJM-FKCSRUCOSA-N. The full InChI is InChI=1S/C16H27NO7S/c1-14(2,3)25(19,20)17-7-6-16-11(10(17)9(18)8-21-16)22-13-12(16)23-15(4,5)24-13/h9-13,18H,6-8H2,1-5H3/t9-,10+,11+,12-,13+,16+/m0/s1.
What are the key properties of (1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol?
(1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol has a molecular weight of 377.46 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,8R,9R,15R)-10-tert-butylsulfonyl-4,4-dimethyl-3,5,7,13-tetraoxa-10-azatetracyclo[7.3.3.01,8.02,6]pentadecan-15-ol is sourced from PubChem (CID 15947012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).