5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide

C14H22N2O3S2 — CID 86827254

IUPAC5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NS(=O)(=O)N2CCCCC2)sc1C
InChIInChI=1S/C14H22N2O3S2/c1-3-7-12-10-13(20-11(12)2)14(17)15-21(18,19)16-8-5-4-6-9-16/h10H,3-9H2,1-2H3,(H,15,17)
InChIKeyGBESQRIVFAWNQQ-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.47
Rot. Bonds5

About 5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide

5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide (PubChem CID 86827254) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide
PubChem CID86827254
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NS(=O)(=O)N2CCCCC2)sc1C
InChIInChI=1S/C14H22N2O3S2/c1-3-7-12-10-13(20-11(12)2)14(17)15-21(18,19)16-8-5-4-6-9-16/h10H,3-9H2,1-2H3,(H,15,17)
InChIKeyGBESQRIVFAWNQQ-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone
CID 39959347
N-[1-(hydroxymethyl)cyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 62519680
N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 64868487
N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 115878236
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 104957169
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 54991565
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 9414960
N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9370107
3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43356574

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide (CID 86827254) is 5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NS(=O)(=O)N2CCCCC2)sc1C.
What is the InChIKey of 5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide?
The InChIKey is GBESQRIVFAWNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-3-7-12-10-13(20-11(12)2)14(17)15-21(18,19)16-8-5-4-6-9-16/h10H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide?
5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-piperidin-1-ylsulfonyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 86827254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).