8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane

C15H29NO3S — CID 91375655

IUPAC8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCCC(CC)S(=O)(=O)N1CCC2(CCCO2)CC1C
InChIInChI=1S/C15H29NO3S/c1-4-7-14(5-2)20(17,18)16-10-9-15(12-13(16)3)8-6-11-19-15/h13-14H,4-12H2,1-3H3
InChIKeyGWDWAFADLMYJKH-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.93
Rot. Bonds5

About 8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane

8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 91375655) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID91375655
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCCC(CC)S(=O)(=O)N1CCC2(CCCO2)CC1C
InChIInChI=1S/C15H29NO3S/c1-4-7-14(5-2)20(17,18)16-10-9-15(12-13(16)3)8-6-11-19-15/h13-14H,4-12H2,1-3H3
InChIKeyGWDWAFADLMYJKH-UHFFFAOYSA-N
XLogP2.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-Propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane
CID 110203881
8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131661979
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide
CID 163418620
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)ethanesulfonamide
CID 166150809
5-[2-(4-Methoxyoxan-4-yl)propyl]-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 170413861
8-Propan-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 178124105
2-[(2-Ethyl-2-methyloxan-4-yl)amino]ethanesulfonamide
CID 64100413
3-[(2-Ethyl-2-methyloxan-4-yl)amino]propane-1-sulfonamide
CID 64103289
N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 83029325
N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide
CID 83039444
(2S,3aS,7aR)-2-methyl-5-propylsulfonyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 97367295
(3R)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371296

Frequently Asked Questions

What is the IUPAC name of 8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane (CID 91375655) is 8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane is CCCC(CC)S(=O)(=O)N1CCC2(CCCO2)CC1C.
What is the InChIKey of 8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is GWDWAFADLMYJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-4-7-14(5-2)20(17,18)16-10-9-15(12-13(16)3)8-6-11-19-15/h13-14H,4-12H2,1-3H3.
What are the key properties of 8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane?
8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 303.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 91375655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).