[(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate

C18H28N2O5S — CID 67575452

IUPAC[(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate
SMILESCC(=O)O[C@@H]1OCC[C@@H]1NC[C@@H](CC(C)C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28N2O5S/c1-13(2)11-15(20-26(22,23)16-7-5-4-6-8-16)12-19-17-9-10-24-18(17)25-14(3)21/h4-8,13,15,17-20H,9-12H2,1-3H3/t15-,17+,18+/m1/s1
InChIKeyVUJDZHIMAHRWHN-NJAFHUGGSA-N
MW384.50 g/mol
LogP1.65
Rot. Bonds9

About [(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate

[(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate (PubChem CID 67575452) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is [(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate
PubChem CID67575452
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name[(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate
SMILESCC(=O)O[C@@H]1OCC[C@@H]1NC[C@@H](CC(C)C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28N2O5S/c1-13(2)11-15(20-26(22,23)16-7-5-4-6-8-16)12-19-17-9-10-24-18(17)25-14(3)21/h4-8,13,15,17-20H,9-12H2,1-3H3/t15-,17+,18+/m1/s1
InChIKeyVUJDZHIMAHRWHN-NJAFHUGGSA-N
XLogP1.65
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate with MolForge

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Related Compounds

[(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate
CID 67698448
[(2S,3S)-3-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentyl]amino]oxolan-2-yl] acetate
CID 67576063
[(2S,3S)-3-[[(2R)-4-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate
CID 67576299
[(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)methoxycarbonylamino]pentyl]amino]oxolan-2-yl] acetate
CID 67698910
[(2S,3S)-3-[[(2R)-4-methyl-2-(tetradecoxycarbonylamino)pentyl]amino]oxolan-2-yl] acetate
CID 67576400
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 67575461
[(2S,3S)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]oxolan-2-yl] acetate
CID 54054053
(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide
CID 139726517
[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
CID 134857022
2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 22444783
N-(2-hydroxyoxolan-3-yl)benzenesulfonamide
CID 141363362
N-(1,3-difluoropropan-2-yl)benzenesulfonamide
CID 67606525

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate?
The IUPAC name of [(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate (CID 67575452) is [(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate?
The canonical SMILES for [(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate is CC(=O)O[C@@H]1OCC[C@@H]1NC[C@@H](CC(C)C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of [(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate?
The InChIKey is VUJDZHIMAHRWHN-NJAFHUGGSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-13(2)11-15(20-26(22,23)16-7-5-4-6-8-16)12-19-17-9-10-24-18(17)25-14(3)21/h4-8,13,15,17-20H,9-12H2,1-3H3/t15-,17+,18+/m1/s1.
What are the key properties of [(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate?
[(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate has a molecular weight of 384.50 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate is sourced from PubChem (CID 67575452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).