N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide

C15H24N2O3S — CID 44602027

IUPACN-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide
SMILESCOc1ccc(CNCCS(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-20-15-8-6-13(7-9-15)12-16-10-11-21(18,19)17-14-4-2-3-5-14/h6-9,14,16-17H,2-5,10-12H2,1H3
InChIKeyDOUMUSVIOFRWMO-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.65
Rot. Bonds8

About N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide

N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide (PubChem CID 44602027) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide
PubChem CID44602027
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide
SMILESCOc1ccc(CNCCS(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-20-15-8-6-13(7-9-15)12-16-10-11-21(18,19)17-14-4-2-3-5-14/h6-9,14,16-17H,2-5,10-12H2,1H3
InChIKeyDOUMUSVIOFRWMO-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide?
The IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide (CID 44602027) is N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide is COc1ccc(CNCCS(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide?
The InChIKey is DOUMUSVIOFRWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-20-15-8-6-13(7-9-15)12-16-10-11-21(18,19)17-14-4-2-3-5-14/h6-9,14,16-17H,2-5,10-12H2,1H3.
What are the key properties of N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide?
N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methoxyphenyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 44602027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).