N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide

C7H17NO4S — CID 12952545

IUPACN-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(C[C@H](O)CO)S(C)(=O)=O
InChIInChI=1S/C7H17NO4S/c1-6(2)8(13(3,11)12)4-7(10)5-9/h6-7,9-10H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyYDAOXJFCWVBIIE-ZETCQYMHSA-N
MW211.28 g/mol
LogP-0.99
Rot. Bonds5

About N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide

N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 12952545) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide
PubChem CID12952545
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC NameN-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(C[C@H](O)CO)S(C)(=O)=O
InChIInChI=1S/C7H17NO4S/c1-6(2)8(13(3,11)12)4-7(10)5-9/h6-7,9-10H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyYDAOXJFCWVBIIE-ZETCQYMHSA-N
XLogP-0.99
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide (CID 12952545) is N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide is CC(C)N(C[C@H](O)CO)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is YDAOXJFCWVBIIE-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO4S/c1-6(2)8(13(3,11)12)4-7(10)5-9/h6-7,9-10H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide?
N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 211.28 g/mol, XLogP of -0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 12952545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).