1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide

C16H28N4O3S — CID 120827627

IUPAC1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
SMILESCNC(C)CNC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2)cn1C
InChIInChI=1S/C16H28N4O3S/c1-12-6-5-7-20(10-12)24(22,23)14-8-15(19(4)11-14)16(21)18-9-13(2)17-3/h8,11-13,17H,5-7,9-10H2,1-4H3,(H,18,21)
InChIKeyONVBDHQRCQVICM-UHFFFAOYSA-N
MW356.49 g/mol
LogP0.78
Rot. Bonds6

About 1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide

1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide (PubChem CID 120827627) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
PubChem CID120827627
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
SMILESCNC(C)CNC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2)cn1C
InChIInChI=1S/C16H28N4O3S/c1-12-6-5-7-20(10-12)24(22,23)14-8-15(19(4)11-14)16(21)18-9-13(2)17-3/h8,11-13,17H,5-7,9-10H2,1-4H3,(H,18,21)
InChIKeyONVBDHQRCQVICM-UHFFFAOYSA-N
XLogP0.78
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 16780683
N-(3,5-dimethylphenyl)-1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 95074371
1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 119535688
N-(2-ethylphenyl)-1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087291
ethyl 4-[[1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carbonyl]amino]benzoate
CID 93059386
N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 119654643
1-methyl-4-[3-(methylamino)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 120715115
1-methyl-4-(4-methylazepan-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 63623741
4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 43605489
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
CID 56808378
[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-(3-methylpiperazin-1-yl)methanone
CID 119578457

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide (CID 120827627) is 1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide is CNC(C)CNC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2)cn1C.
What is the InChIKey of 1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
The InChIKey is ONVBDHQRCQVICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-12-6-5-7-20(10-12)24(22,23)14-8-15(19(4)11-14)16(21)18-9-13(2)17-3/h8,11-13,17H,5-7,9-10H2,1-4H3,(H,18,21).
What are the key properties of 1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide?
1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 120827627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).