(3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C15H28N4O3S — CID 95168195

IUPAC(3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H](N3CCCC3)C2)CC1
InChIInChI=1S/C15H28N4O3S/c1-23(21,22)19-10-4-13(5-11-19)16-15(20)18-9-6-14(12-18)17-7-2-3-8-17/h13-14H,2-12H2,1H3,(H,16,20)/t14-/m1/s1
InChIKeyCLZXETYCSRGXSE-CQSZACIVSA-N
MW344.48 g/mol
LogP0.29
Rot. Bonds3

About (3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

(3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 95168195) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is (3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID95168195
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC Name(3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H](N3CCCC3)C2)CC1
InChIInChI=1S/C15H28N4O3S/c1-23(21,22)19-10-4-13(5-11-19)16-15(20)18-9-6-14(12-18)17-7-2-3-8-17/h13-14H,2-12H2,1H3,(H,16,20)/t14-/m1/s1
InChIKeyCLZXETYCSRGXSE-CQSZACIVSA-N
XLogP0.29
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide 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-cyclohexyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 49289387
(2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide
CID 94030377
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
3-(4-aminopiperidin-1-yl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 80553937
N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 115695110
N-cyclohexyl-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45248209
N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115760770
methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate
CID 112617221
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
CID 111470896
4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
CID 146393563
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110871494

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 95168195) is (3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is CS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H](N3CCCC3)C2)CC1.
What is the InChIKey of (3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is CLZXETYCSRGXSE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-23(21,22)19-10-4-13(5-11-19)16-15(20)18-9-6-14(12-18)17-7-2-3-8-17/h13-14H,2-12H2,1H3,(H,16,20)/t14-/m1/s1.
What are the key properties of (3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
(3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95168195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).