1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine

C16H26N2O2S — CID 106738112

IUPAC1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
SMILESCCCS(=O)(=O)c1ccccc1NC(CN)C1CCCC1
InChIInChI=1S/C16H26N2O2S/c1-2-11-21(19,20)16-10-6-5-9-14(16)18-15(12-17)13-7-3-4-8-13/h5-6,9-10,13,15,18H,2-4,7-8,11-12,17H2,1H3
InChIKeyLVBKYOAQBCHQCA-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.80
Rot. Bonds7

About 1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine

1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine (PubChem CID 106738112) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
PubChem CID106738112
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
SMILESCCCS(=O)(=O)c1ccccc1NC(CN)C1CCCC1
InChIInChI=1S/C16H26N2O2S/c1-2-11-21(19,20)16-10-6-5-9-14(16)18-15(12-17)13-7-3-4-8-13/h5-6,9-10,13,15,18H,2-4,7-8,11-12,17H2,1H3
InChIKeyLVBKYOAQBCHQCA-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide
CID 62406135
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide
CID 119589172
N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343
N-(2-ethylcyclohexyl)-2-propylsulfonylaniline
CID 61470216
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
N-ethyl-2-propylsulfonylaniline
CID 43453634
[2-(2-propylsulfonylanilino)cyclohexyl]methanol
CID 106362332
N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide
CID 119591550
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
N-(4-bromopentan-2-yl)-2-propylsulfonylaniline
CID 113376687

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine (CID 106738112) is 1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine is CCCS(=O)(=O)c1ccccc1NC(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine?
The InChIKey is LVBKYOAQBCHQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-11-21(19,20)16-10-6-5-9-14(16)18-15(12-17)13-7-3-4-8-13/h5-6,9-10,13,15,18H,2-4,7-8,11-12,17H2,1H3.
What are the key properties of 1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine?
1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine has a molecular weight of 310.46 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106738112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).