1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide

C12H25N3O2S — CID 54972006

IUPAC1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCC(CN1CCCC1)NS(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H25N3O2S/c1-11(9-15-7-2-3-8-15)14-18(16,17)10-12-5-4-6-13-12/h11-14H,2-10H2,1H3
InChIKeyJKEWDMZEEFHTLT-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.14
Rot. Bonds6

About 1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide

1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (PubChem CID 54972006) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
PubChem CID54972006
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCC(CN1CCCC1)NS(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H25N3O2S/c1-11(9-15-7-2-3-8-15)14-18(16,17)10-12-5-4-6-13-12/h11-14H,2-10H2,1H3
InChIKeyJKEWDMZEEFHTLT-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-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

Related Compounds

N-(Pyrrolidin-3-yl)propane-1-sulfonamide
CID 43602878
2-{[(2R)-pyrrolidin-2-yl]methyl}-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 145913542
2-Butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359861
N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51360716
2-Cyclopentyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51360717
3-Cyano-N-[(1-ethylpyrrolidin-2-YL)methyl]propane-1-sulfonamide
CID 86801799
N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide
CID 95322394
N-(2-ethylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 171359320
4-Pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 60156533
N-{[(2S,4S)-4-Fluoropyrrolidin-2-YL]methyl}butane-1-sulfonamide
CID 70758179
2-Pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
CID 83058383
N-methyl-1-[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanamine
CID 83059726

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (CID 54972006) is 1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is CC(CN1CCCC1)NS(=O)(=O)CC1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The InChIKey is JKEWDMZEEFHTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11(9-15-7-2-3-8-15)14-18(16,17)10-12-5-4-6-13-12/h11-14H,2-10H2,1H3.
What are the key properties of 1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 54972006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).