N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide

C18H27N3O3S — CID 119624813

IUPACN-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-25(23,24)20-17-6-4-3-5-16(17)18(22)21-11-9-15(10-12-21)19-13-14-7-8-14/h3-6,14-15,19-20H,2,7-13H2,1H3
InChIKeyKBDBGYMFJDFUKY-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.05
Rot. Bonds7

About N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide

N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide (PubChem CID 119624813) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
PubChem CID119624813
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-25(23,24)20-17-6-4-3-5-16(17)18(22)21-11-9-15(10-12-21)19-13-14-7-8-14/h3-6,14-15,19-20H,2,7-13H2,1H3
InChIKeyKBDBGYMFJDFUKY-UHFFFAOYSA-N
XLogP2.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide 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-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
CID 119520283
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,3-dimethylanilino)phenyl]methanone
CID 119625088
N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 51096518
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 119621812
N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119398279
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119516967
[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132
(3S)-1-[2-(ethylsulfonylamino)benzoyl]piperidine-3-carboxylic acid
CID 119174076

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide (CID 119624813) is N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide?
The InChIKey is KBDBGYMFJDFUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-25(23,24)20-17-6-4-3-5-16(17)18(22)21-11-9-15(10-12-21)19-13-14-7-8-14/h3-6,14-15,19-20H,2,7-13H2,1H3.
What are the key properties of N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide?
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 119624813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).