3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide

C18H27N3O3S — CID 119594513

IUPAC3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C18H27N3O3S/c1-12-5-8-16(25(23,24)20-15-6-7-15)10-17(12)18(22)21-9-3-4-14(11-21)13(2)19/h5,8,10,13-15,20H,3-4,6-7,9,11,19H2,1-2H3
InChIKeyIZNVXNFPGKLHEM-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.64
Rot. Bonds5

About 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide (PubChem CID 119594513) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide
PubChem CID119594513
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C18H27N3O3S/c1-12-5-8-16(25(23,24)20-15-6-7-15)10-17(12)18(22)21-9-3-4-14(11-21)13(2)19/h5,8,10,13-15,20H,3-4,6-7,9,11,19H2,1-2H3
InChIKeyIZNVXNFPGKLHEM-UHFFFAOYSA-N
XLogP1.64
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 95357618
N-cyclopropyl-3-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 49070882
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-cyclopropyl-4-methylbenzenesulfonamide
CID 120814473
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32505338
4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60635809
[2-(azepan-1-yl)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679189
[3-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 119595101
4-bromo-N-cyclopropyl-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55654688
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 119516887
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 97161048

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide?
The IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide (CID 119594513) is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCCC(C(C)N)C1.
What is the InChIKey of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide?
The InChIKey is IZNVXNFPGKLHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-12-5-8-16(25(23,24)20-15-6-7-15)10-17(12)18(22)21-9-3-4-14(11-21)13(2)19/h5,8,10,13-15,20H,3-4,6-7,9,11,19H2,1-2H3.
What are the key properties of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide?
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 119594513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).