1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride

C16H27ClN4O3S — CID 119510648

IUPAC1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC1CCCN1
InChIInChI=1S/C16H26N4O3S.ClH/c1-19-12-14(24(22,23)20-8-3-2-4-9-20)10-15(19)16(21)18-11-13-6-5-7-17-13;/h10,12-13,17H,2-9,11H2,1H3,(H,18,21);1H
InChIKeyCEJRGMBRLNNMEL-UHFFFAOYSA-N
MW390.94 g/mol
LogP1.10
Rot. Bonds5

About 1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride

1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (PubChem CID 119510648) has the molecular formula C16H27ClN4O3S and a molecular weight of 390.94 g/mol. Its IUPAC name is 1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
PubChem CID119510648
Molecular FormulaC16H27ClN4O3S
Molecular Weight390.94 g/mol
Exact Mass390.15
IUPAC Name1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC1CCCN1
InChIInChI=1S/C16H26N4O3S.ClH/c1-19-12-14(24(22,23)20-8-3-2-4-9-20)10-15(19)16(21)18-11-13-6-5-7-17-13;/h10,12-13,17H,2-9,11H2,1H3,(H,18,21);1H
InChIKeyCEJRGMBRLNNMEL-UHFFFAOYSA-N
XLogP1.10
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride 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

1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
CID 120575353
1-methyl-N-(2-piperidin-3-ylethyl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119555768
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319
4-methyl-3-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514288
N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 62541291
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride
CID 119543393
N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230351
N-(2-ethoxyethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87020144
3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511221

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (CID 119510648) is 1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC1CCCN1.
What is the InChIKey of 1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The InChIKey is CEJRGMBRLNNMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S.ClH/c1-19-12-14(24(22,23)20-8-3-2-4-9-20)10-15(19)16(21)18-11-13-6-5-7-17-13;/h10,12-13,17H,2-9,11H2,1H3,(H,18,21);1H.
What are the key properties of 1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride has a molecular weight of 390.94 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119510648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).