N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide

C15H24N2O2S — CID 43319471

IUPACN-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
SMILESNCCCN(C1CCCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H24N2O2S/c16-11-6-12-17(15-9-4-5-10-15)20(18,19)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13,16H2
InChIKeyLUALKADLPHSGSQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.11
Rot. Bonds7

About N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide

N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide (PubChem CID 43319471) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
PubChem CID43319471
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
SMILESNCCCN(C1CCCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H24N2O2S/c16-11-6-12-17(15-9-4-5-10-15)20(18,19)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13,16H2
InChIKeyLUALKADLPHSGSQ-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511
N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide
CID 80669300
1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61138289
N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide
CID 102874325
N-[[benzylsulfonyl(cyclopentyl)amino]disulfanyl]-N-cyclopentyl-1-phenylmethanesulfonamide
CID 21436541
N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
CID 55173884
N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide
CID 63244806
N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide
CID 80687108
N-(3-aminopropyl)-N-benzylcyclopentanesulfonamide
CID 107366552
1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide
CID 43541147
1-(3-cyanophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)methanesulfonamide
CID 102847448

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide (CID 43319471) is N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide is NCCCN(C1CCCC1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide?
The InChIKey is LUALKADLPHSGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c16-11-6-12-17(15-9-4-5-10-15)20(18,19)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13,16H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide?
N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 43319471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).