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

C17H21N3O3S2 — CID 119291186

IUPACN-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESNCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H21N3O3S2/c18-12-13-3-5-14(6-4-13)17(21)20-9-7-15(8-10-20)19-25(22,23)16-2-1-11-24-16/h1-6,11,15,19H,7-10,12,18H2
InChIKeyYQLWXNDQOBTUEL-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.79
Rot. Bonds5

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

N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 119291186) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID119291186
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESNCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H21N3O3S2/c18-12-13-3-5-14(6-4-13)17(21)20-9-7-15(8-10-20)19-25(22,23)16-2-1-11-24-16/h1-6,11,15,19H,7-10,12,18H2
InChIKeyYQLWXNDQOBTUEL-UHFFFAOYSA-N
XLogP1.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 71970091
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 120622781
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46450714
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 17484080
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 119291186) is N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide is NCc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is YQLWXNDQOBTUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c18-12-13-3-5-14(6-4-13)17(21)20-9-7-15(8-10-20)19-25(22,23)16-2-1-11-24-16/h1-6,11,15,19H,7-10,12,18H2.
What are the key properties of N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 379.51 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 119291186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).