N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide

C16H26N2O4S — CID 75367097

IUPACN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
SMILESCC(C)(C)CN[C@@H]1CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O
InChIInChI=1S/C16H26N2O4S/c1-16(2,3)11-17-13-10-22-14(15(13)19)9-18-23(20,21)12-7-5-4-6-8-12/h4-8,13-15,17-19H,9-11H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeySSFWJYDUWMZFCL-KFWWJZLASA-N
MW342.46 g/mol
LogP0.73
Rot. Bonds6

About N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide

N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 75367097) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
PubChem CID75367097
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
SMILESCC(C)(C)CN[C@@H]1CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O
InChIInChI=1S/C16H26N2O4S/c1-16(2,3)11-17-13-10-22-14(15(13)19)9-18-23(20,21)12-7-5-4-6-8-12/h4-8,13-15,17-19H,9-11H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeySSFWJYDUWMZFCL-KFWWJZLASA-N
XLogP0.73
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide (CID 75367097) is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide is CC(C)(C)CN[C@@H]1CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is SSFWJYDUWMZFCL-KFWWJZLASA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-16(2,3)11-17-13-10-22-14(15(13)19)9-18-23(20,21)12-7-5-4-6-8-12/h4-8,13-15,17-19H,9-11H2,1-3H3/t13-,14-,15+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 75367097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).