2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine

C17H27NO2S — CID 64675916

IUPAC2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)CS(=O)(=O)CC2CCCC2)cc1
InChIInChI=1S/C17H27NO2S/c1-2-5-14-8-10-16(11-9-14)17(18)13-21(19,20)12-15-6-3-4-7-15/h8-11,15,17H,2-7,12-13,18H2,1H3
InChIKeyZRAPMHOUZDGKBI-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.24
Rot. Bonds7

About 2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine

2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine (PubChem CID 64675916) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine
PubChem CID64675916
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)CS(=O)(=O)CC2CCCC2)cc1
InChIInChI=1S/C17H27NO2S/c1-2-5-14-8-10-16(11-9-14)17(18)13-21(19,20)12-15-6-3-4-7-15/h8-11,15,17H,2-7,12-13,18H2,1H3
InChIKeyZRAPMHOUZDGKBI-UHFFFAOYSA-N
XLogP3.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-1-(4-propylphenyl)propan-1-amine
CID 43106075
2-(4-ethylpiperidin-1-yl)-1-(4-propylphenyl)ethanamine
CID 61421149
N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43541052
2-cyclobutyloxy-1-(4-propylphenyl)ethanamine
CID 62139683
1-(4-propylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052836
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
CID 64646967
2-(oxolan-3-yl)-1-(4-propylphenyl)ethanamine
CID 103986875
1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 95733790
N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43264141
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine (CID 64675916) is 2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(N)CS(=O)(=O)CC2CCCC2)cc1.
What is the InChIKey of 2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine?
The InChIKey is ZRAPMHOUZDGKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-2-5-14-8-10-16(11-9-14)17(18)13-21(19,20)12-15-6-3-4-7-15/h8-11,15,17H,2-7,12-13,18H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine?
2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine has a molecular weight of 309.48 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfonyl)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 64675916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).