1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide

C12H19N3O3S2 — CID 106266279

IUPAC1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C12H19N3O3S2/c1-8-2-3-9(12(14)16)7-15(8)20(17,18)11-5-4-10(6-13)19-11/h4-5,8-9H,2-3,6-7,13H2,1H3,(H2,14,16)
InChIKeyDEOZXUIFARFTTH-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.48
Rot. Bonds4

About 1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide

1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide (PubChem CID 106266279) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide
PubChem CID106266279
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C12H19N3O3S2/c1-8-2-3-9(12(14)16)7-15(8)20(17,18)11-5-4-10(6-13)19-11/h4-5,8-9H,2-3,6-7,13H2,1H3,(H2,14,16)
InChIKeyDEOZXUIFARFTTH-UHFFFAOYSA-N
XLogP0.48
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 106267798
[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine
CID 79942950
(3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 129419068
2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 54882469
(3R,6R)-6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95663554
1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154148
1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 61139549
1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide
CID 54988855
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide
CID 47319650
6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 47268283
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
CID 106266502

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide (CID 106266279) is 1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1S(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
The InChIKey is DEOZXUIFARFTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-8-2-3-9(12(14)16)7-15(8)20(17,18)11-5-4-10(6-13)19-11/h4-5,8-9H,2-3,6-7,13H2,1H3,(H2,14,16).
What are the key properties of 1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide?
1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 106266279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).