3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine

C16H25NOS — CID 103701377

IUPAC3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCCOc1ccc(CNC2CCC(SC)C2)cc1
InChIInChI=1S/C16H25NOS/c1-3-10-18-15-7-4-13(5-8-15)12-17-14-6-9-16(11-14)19-2/h4-5,7-8,14,16-17H,3,6,9-12H2,1-2H3
InChIKeyLPEMKWKHGGDALJ-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.85
Rot. Bonds7

About 3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine

3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine (PubChem CID 103701377) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
PubChem CID103701377
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCCOc1ccc(CNC2CCC(SC)C2)cc1
InChIInChI=1S/C16H25NOS/c1-3-10-18-15-7-4-13(5-8-15)12-17-14-6-9-16(11-14)19-2/h4-5,7-8,14,16-17H,3,6,9-12H2,1-2H3
InChIKeyLPEMKWKHGGDALJ-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702366
N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701416
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[(4-propoxyphenyl)methyl]thiolan-3-amine
CID 103701552
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62417571
3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 115656335
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine
CID 115563628

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine (CID 103701377) is 3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine is CCCOc1ccc(CNC2CCC(SC)C2)cc1.
What is the InChIKey of 3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine?
The InChIKey is LPEMKWKHGGDALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-10-18-15-7-4-13(5-8-15)12-17-14-6-9-16(11-14)19-2/h4-5,7-8,14,16-17H,3,6,9-12H2,1-2H3.
What are the key properties of 3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine?
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 103701377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).