N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide

C10H22N2O3S — CID 63856421

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)CCC(C)C
InChIInChI=1S/C10H22N2O3S/c1-8(2)4-5-16(13,14)12-9-6-11-7-10(9)15-3/h8-12H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyYGQHBEKBXJPQSS-AXDSSHIGSA-N
MW250.36 g/mol
LogP-0.06
Rot. Bonds6

About N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide (PubChem CID 63856421) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide
PubChem CID63856421
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)CCC(C)C
InChIInChI=1S/C10H22N2O3S/c1-8(2)4-5-16(13,14)12-9-6-11-7-10(9)15-3/h8-12H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyYGQHBEKBXJPQSS-AXDSSHIGSA-N
XLogP-0.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide 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-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide (CID 63856421) is N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide is CO[C@H]1CNCC1NS(=O)(=O)CCC(C)C.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide?
The InChIKey is YGQHBEKBXJPQSS-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-8(2)4-5-16(13,14)12-9-6-11-7-10(9)15-3/h8-12H,4-7H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63856421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).