N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

C12H23N3O4S — CID 110108846

IUPACN-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCC(O)(CN2CCCC2)C1
InChIInChI=1S/C12H23N3O4S/c1-20(18,19)13-8-11(16)15-7-4-12(17,10-15)9-14-5-2-3-6-14/h13,17H,2-10H2,1H3
InChIKeyDWVXVYVHAAEAOP-UHFFFAOYSA-N
MW305.40 g/mol
LogP-1.41
Rot. Bonds5

About N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 110108846) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID110108846
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC NameN-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCC(O)(CN2CCCC2)C1
InChIInChI=1S/C12H23N3O4S/c1-20(18,19)13-8-11(16)15-7-4-12(17,10-15)9-14-5-2-3-6-14/h13,17H,2-10H2,1H3
InChIKeyDWVXVYVHAAEAOP-UHFFFAOYSA-N
XLogP-1.41
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]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-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 110108846) is N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is CS(=O)(=O)NCC(=O)N1CCC(O)(CN2CCCC2)C1.
What is the InChIKey of N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is DWVXVYVHAAEAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-20(18,19)13-8-11(16)15-7-4-12(17,10-15)9-14-5-2-3-6-14/h13,17H,2-10H2,1H3.
What are the key properties of N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of -1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 110108846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).