4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide

C14H22N2O3S2 — CID 6503399

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2csc(C(=O)NC(C)C)c2)CC1
InChIInChI=1S/C14H22N2O3S2/c1-10(2)15-14(17)13-8-12(9-20-13)21(18,19)16-6-4-11(3)5-7-16/h8-11H,4-7H2,1-3H3,(H,15,17)
InChIKeyCRVXPFVQFDAULF-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.31
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide

4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 6503399) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
PubChem CID6503399
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2csc(C(=O)NC(C)C)c2)CC1
InChIInChI=1S/C14H22N2O3S2/c1-10(2)15-14(17)13-8-12(9-20-13)21(18,19)16-6-4-11(3)5-7-16/h8-11H,4-7H2,1-3H3,(H,15,17)
InChIKeyCRVXPFVQFDAULF-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
CID 6503383
methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 27245285
N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503538
N-cycloheptyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503522
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61068404
2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid
CID 6503539
N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503563
N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide
CID 131926103
4-(3-methoxypyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103531351
4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 55248008
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503288

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide (CID 6503399) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide is CC1CCN(S(=O)(=O)c2csc(C(=O)NC(C)C)c2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is CRVXPFVQFDAULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-10(2)15-14(17)13-8-12(9-20-13)21(18,19)16-6-4-11(3)5-7-16/h8-11H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 6503399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).