2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine

C16H25NOS — CID 64656085

IUPAC2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)S(=O)CC1CCCC1
InChIInChI=1S/C16H25NOS/c1-2-15(16(17)14-10-4-3-5-11-14)19(18)12-13-8-6-7-9-13/h3-5,10-11,13,15-16H,2,6-9,12,17H2,1H3
InChIKeyFLRCHMUELNMXEU-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.40
Rot. Bonds6

About 2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine

2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine (PubChem CID 64656085) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine
PubChem CID64656085
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)S(=O)CC1CCCC1
InChIInChI=1S/C16H25NOS/c1-2-15(16(17)14-10-4-3-5-11-14)19(18)12-13-8-6-7-9-13/h3-5,10-11,13,15-16H,2,6-9,12,17H2,1H3
InChIKeyFLRCHMUELNMXEU-UHFFFAOYSA-N
XLogP3.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine
CID 103290454
2-(2-bromophenyl)sulfinyl-1-phenylbutan-1-amine
CID 64653527
2-cyclohexylsulfinyl-1-phenylpropan-1-amine
CID 64654149
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine
CID 106496380
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine
CID 64657384
2-(cyclopentylmethylsulfonyl)-3-methyl-1-phenylbutan-1-amine
CID 64675717
2-(2-cyclobutylethoxy)-1-phenylbutan-1-amine
CID 106201059
2-cyclohexylsulfanyl-1-phenylbutan-1-amine
CID 64632648
2-cycloheptyl-1-phenylethanamine
CID 21261900
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine (CID 64656085) is 2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine is CCC(C(N)c1ccccc1)S(=O)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine?
The InChIKey is FLRCHMUELNMXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-2-15(16(17)14-10-4-3-5-11-14)19(18)12-13-8-6-7-9-13/h3-5,10-11,13,15-16H,2,6-9,12,17H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine?
2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 64656085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).