4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide

C14H23N3O3S2 — CID 131929491

IUPAC4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
SMILESNS(=O)(=O)CCCC(=O)NC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C14H23N3O3S2/c15-22(19,20)9-3-6-14(18)16-12-4-1-7-17(10-12)11-13-5-2-8-21-13/h2,5,8,12H,1,3-4,6-7,9-11H2,(H,16,18)(H2,15,19,20)
InChIKeyKNADXQYAUVTVFV-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.90
Rot. Bonds7

About 4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide

4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide (PubChem CID 131929491) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
PubChem CID131929491
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC Name4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
SMILESNS(=O)(=O)CCCC(=O)NC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C14H23N3O3S2/c15-22(19,20)9-3-6-14(18)16-12-4-1-7-17(10-12)11-13-5-2-8-21-13/h2,5,8,12H,1,3-4,6-7,9-11H2,(H,16,18)(H2,15,19,20)
InChIKeyKNADXQYAUVTVFV-UHFFFAOYSA-N
XLogP0.90
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-5-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pentanamide
CID 131905750
4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide
CID 131920401
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131895476
3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide
CID 131915591
5-acetyl-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 97438421
2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]benzoic acid
CID 131904569
1-(3-chloro-4-methoxyphenyl)-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]urea
CID 131892413
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74247458
4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
CID 56911223
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 119865360
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide
CID 131889341
4-oxo-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazoline-2-carboxamide
CID 137225427

Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide?
The IUPAC name of 4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide (CID 131929491) is 4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide.
What is the SMILES notation for 4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide?
The canonical SMILES for 4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide is NS(=O)(=O)CCCC(=O)NC1CCCN(Cc2cccs2)C1.
What is the InChIKey of 4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide?
The InChIKey is KNADXQYAUVTVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c15-22(19,20)9-3-6-14(18)16-12-4-1-7-17(10-12)11-13-5-2-8-21-13/h2,5,8,12H,1,3-4,6-7,9-11H2,(H,16,18)(H2,15,19,20).
What are the key properties of 4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide?
4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide has a molecular weight of 345.49 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 131929491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).