N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide

C17H27N3O3S — CID 119516967

IUPACN-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C17H27N3O3S/c1-3-12-24(22,23)19-16-7-5-4-6-15(16)17(21)20-10-8-14(9-11-20)13(2)18/h4-7,13-14,19H,3,8-12,18H2,1-2H3
InChIKeyAMALBBADBUHDEQ-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.04
Rot. Bonds6

About N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide

N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 119516967) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID119516967
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C17H27N3O3S/c1-3-12-24(22,23)19-16-7-5-4-6-15(16)17(21)20-10-8-14(9-11-20)13(2)18/h4-7,13-14,19H,3,8-12,18H2,1-2H3
InChIKeyAMALBBADBUHDEQ-UHFFFAOYSA-N
XLogP2.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-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

N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
CID 119520283
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284
4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid
CID 120528098
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119624813
6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514603
N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 120748480
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride
CID 119517512
N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026
[3-(1-aminoethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone;hydrochloride
CID 119595549
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-(difluoromethylsulfanyl)phenyl]methanone
CID 166307242
N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide
CID 119589172

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide (CID 119516967) is N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is AMALBBADBUHDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-3-12-24(22,23)19-16-7-5-4-6-15(16)17(21)20-10-8-14(9-11-20)13(2)18/h4-7,13-14,19H,3,8-12,18H2,1-2H3.
What are the key properties of N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide?
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 353.49 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 119516967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).