N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine

C16H25NOS — CID 64655436

IUPACN-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine
SMILESCCCNC(CS(=O)C1CCCC1)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-2-12-17-16(14-8-4-3-5-9-14)13-19(18)15-10-6-7-11-15/h3-5,8-9,15-17H,2,6-7,10-13H2,1H3
InChIKeyJTQGXEQDPCZGPI-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.42
Rot. Bonds7

About N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine

N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine (PubChem CID 64655436) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine
PubChem CID64655436
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine
SMILESCCCNC(CS(=O)C1CCCC1)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-2-12-17-16(14-8-4-3-5-9-14)13-19(18)15-10-6-7-11-15/h3-5,8-9,15-17H,2,6-7,10-13H2,1H3
InChIKeyJTQGXEQDPCZGPI-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine
CID 64656793
N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine
CID 64659428
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
1-cyclohexylsulfinyl-N-propylpropan-2-amine
CID 64654364
N-[2-(4-fluorophenyl)sulfinyl-1-phenylethyl]propan-1-amine
CID 64657503
N-[2-(2-methylsulfonylethylsulfinyl)-1-phenylethyl]propan-1-amine
CID 64676485
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236
2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine
CID 64655445
N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
CID 63473660
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine?
The IUPAC name of N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine (CID 64655436) is N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine.
What is the SMILES notation for N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine?
The canonical SMILES for N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine is CCCNC(CS(=O)C1CCCC1)c1ccccc1.
What is the InChIKey of N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine?
The InChIKey is JTQGXEQDPCZGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-2-12-17-16(14-8-4-3-5-9-14)13-19(18)15-10-6-7-11-15/h3-5,8-9,15-17H,2,6-7,10-13H2,1H3.
What are the key properties of N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine?
N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine is sourced from PubChem (CID 64655436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).