N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C18H28N4O3S — CID 55560394

IUPACN-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H28N4O3S/c1-20-13-16(26(24,25)22-8-2-3-9-22)12-17(20)18(23)19-14-6-10-21(11-7-14)15-4-5-15/h12-15H,2-11H2,1H3,(H,19,23)
InChIKeyYAHOVCQFVYMEFR-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.17
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 55560394) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID55560394
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H28N4O3S/c1-20-13-16(26(24,25)22-8-2-3-9-22)12-17(20)18(23)19-14-6-10-21(11-7-14)15-4-5-15/h12-15H,2-11H2,1H3,(H,19,23)
InChIKeyYAHOVCQFVYMEFR-UHFFFAOYSA-N
XLogP1.17
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230351
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319
N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087255
4-(4-cyclopropylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 60951652
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51548567
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
CID 120575353
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
N-(2-ethoxyethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87020144
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 55560394) is N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is YAHOVCQFVYMEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-20-13-16(26(24,25)22-8-2-3-9-22)12-17(20)18(23)19-14-6-10-21(11-7-14)15-4-5-15/h12-15H,2-11H2,1H3,(H,19,23).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 55560394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).