N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide

C15H22N2O4S — CID 72910148

IUPACN-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CN(C(=O)CCc2ccco2)C[C@@H]1C1CC1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)16-14-10-17(9-13(14)11-4-5-11)15(18)7-6-12-3-2-8-21-12/h2-3,8,11,13-14,16H,4-7,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyPSEZKMDTDBDNOO-KGLIPLIRSA-N
MW326.42 g/mol
LogP1.00
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 72910148) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID72910148
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CN(C(=O)CCc2ccco2)C[C@@H]1C1CC1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)16-14-10-17(9-13(14)11-4-5-11)15(18)7-6-12-3-2-8-21-12/h2-3,8,11,13-14,16H,4-7,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyPSEZKMDTDBDNOO-KGLIPLIRSA-N
XLogP1.00
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide 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-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide (CID 72910148) is N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CN(C(=O)CCc2ccco2)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is PSEZKMDTDBDNOO-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-22(19,20)16-14-10-17(9-13(14)11-4-5-11)15(18)7-6-12-3-2-8-21-12/h2-3,8,11,13-14,16H,4-7,9-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72910148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).