(2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol

C15H24NO6PS — CID 6565192

IUPAC(2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol
SMILESCOP(=O)(OC)[C@]1(O)C[C@H](C)N(S(=O)(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C15H24NO6PS/c1-12-11-16(24(19,20)14-8-6-5-7-9-14)13(2)10-15(12,17)23(18,21-3)22-4/h5-9,12-13,17H,10-11H2,1-4H3/t12-,13+,15-/m1/s1
InChIKeyDIKBDUBVWNETEF-VNHYZAJKSA-N
MW377.40 g/mol
LogP2.28
Rot. Bonds5

About (2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol

(2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol (PubChem CID 6565192) has the molecular formula C15H24NO6PS and a molecular weight of 377.40 g/mol. Its IUPAC name is (2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol
PubChem CID6565192
Molecular FormulaC15H24NO6PS
Molecular Weight377.40 g/mol
Exact Mass377.11
IUPAC Name(2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol
SMILESCOP(=O)(OC)[C@]1(O)C[C@H](C)N(S(=O)(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C15H24NO6PS/c1-12-11-16(24(19,20)14-8-6-5-7-9-14)13(2)10-15(12,17)23(18,21-3)22-4/h5-9,12-13,17H,10-11H2,1-4H3/t12-,13+,15-/m1/s1
InChIKeyDIKBDUBVWNETEF-VNHYZAJKSA-N
XLogP2.28
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
CID 124927772
6-(benzenesulfonyl)-7-methyl-6-azaspiro[3.4]octane
CID 168897842
(2S,4R)-1-(benzenesulfonyl)-4-methoxy-2-(methoxymethyl)pyrrolidine
CID 128975294
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
(NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine
CID 6238586
methyl (4S)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carboxylate
CID 7997286
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
methyl (2S,4R)-4-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylate
CID 15386103
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol?
The IUPAC name of (2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol (CID 6565192) is (2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol.
What is the SMILES notation for (2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol?
The canonical SMILES for (2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol is COP(=O)(OC)[C@]1(O)C[C@H](C)N(S(=O)(=O)c2ccccc2)C[C@H]1C.
What is the InChIKey of (2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol?
The InChIKey is DIKBDUBVWNETEF-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H24NO6PS/c1-12-11-16(24(19,20)14-8-6-5-7-9-14)13(2)10-15(12,17)23(18,21-3)22-4/h5-9,12-13,17H,10-11H2,1-4H3/t12-,13+,15-/m1/s1.
What are the key properties of (2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol?
(2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol has a molecular weight of 377.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-1-(benzenesulfonyl)-4-dimethoxyphosphoryl-2,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 6565192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).