N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide

C13H21N3O3S2 — CID 119291200

IUPACN-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESNCCCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H21N3O3S2/c14-7-1-3-12(17)16-8-5-11(6-9-16)15-21(18,19)13-4-2-10-20-13/h2,4,10-11,15H,1,3,5-9,14H2
InChIKeyRQYDWSIRUMJHFE-UHFFFAOYSA-N
MW331.46 g/mol
LogP0.76
Rot. Bonds6

About N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide

N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 119291200) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID119291200
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC NameN-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESNCCCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H21N3O3S2/c14-7-1-3-12(17)16-8-5-11(6-9-16)15-21(18,19)13-4-2-10-20-13/h2,4,10-11,15H,1,3,5-9,14H2
InChIKeyRQYDWSIRUMJHFE-UHFFFAOYSA-N
XLogP0.76
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[4-oxo-4-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butyl]carbamate
CID 55824769
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 39205864
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044
N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33168871
N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide
CID 33172544
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-[1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55822643
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 38170585
N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 17482603

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 119291200) is N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide is NCCCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is RQYDWSIRUMJHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c14-7-1-3-12(17)16-8-5-11(6-9-16)15-21(18,19)13-4-2-10-20-13/h2,4,10-11,15H,1,3,5-9,14H2.
What are the key properties of N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 331.46 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 119291200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).