1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide

C11H17N3O3S2 — CID 61299196

IUPAC1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H17N3O3S2/c1-13-11(15)8-2-4-14(5-3-8)19(16,17)10-6-9(12)7-18-10/h6-8H,2-5,12H2,1H3,(H,13,15)
InChIKeyLTTJSTNMJBEEML-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.48
Rot. Bonds3

About 1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide

1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 61299196) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID61299196
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H17N3O3S2/c1-13-11(15)8-2-4-14(5-3-8)19(16,17)10-6-9(12)7-18-10/h6-8H,2-5,12H2,1H3,(H,13,15)
InChIKeyLTTJSTNMJBEEML-UHFFFAOYSA-N
XLogP0.48
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 61298781
5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
CID 63623700
N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide
CID 61299995
5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61027124
1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 43577792
1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81096834
1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide
CID 136548371
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine
CID 61300000
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
methyl 3-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]propanoate
CID 115533458
1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide
CID 131920678

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 61299196) is 1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is LTTJSTNMJBEEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-13-11(15)8-2-4-14(5-3-8)19(16,17)10-6-9(12)7-18-10/h6-8H,2-5,12H2,1H3,(H,13,15).
What are the key properties of 1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide?
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 61299196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).