2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine

C16H25NS — CID 64628614

IUPAC2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)C(SC1CCCC1)C(N)c1ccccc1
InChIInChI=1S/C16H25NS/c1-12(2)16(18-14-10-6-7-11-14)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14-16H,6-7,10-11,17H2,1-2H3
InChIKeyCDRYBPVKWASJRM-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.39
Rot. Bonds5

About 2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine

2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine (PubChem CID 64628614) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine
PubChem CID64628614
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)C(SC1CCCC1)C(N)c1ccccc1
InChIInChI=1S/C16H25NS/c1-12(2)16(18-14-10-6-7-11-14)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14-16H,6-7,10-11,17H2,1-2H3
InChIKeyCDRYBPVKWASJRM-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-phenylbutan-1-amine
CID 64632648
[cyclopentylsulfanyl(phenyl)methyl]benzene
CID 66910804
2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine
CID 64622173
3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64615135
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
2-cyclohexylsulfinyl-1-phenylpropan-1-amine
CID 64654149
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384
2-(cyclopentylmethylsulfonyl)-3-methyl-1-phenylbutan-1-amine
CID 64675717
1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019210
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495028
1-[(R)-cyclohexylsulfanyl(phenyl)methyl]-4-fluorobenzene
CID 134849357

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine (CID 64628614) is 2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine is CC(C)C(SC1CCCC1)C(N)c1ccccc1.
What is the InChIKey of 2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine?
The InChIKey is CDRYBPVKWASJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-12(2)16(18-14-10-6-7-11-14)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14-16H,6-7,10-11,17H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine?
2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64628614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).