4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol

C13H19NOS — CID 103953607

IUPAC4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
SMILESCSC1CCC(NCc2ccc(O)cc2)C1
InChIInChI=1S/C13H19NOS/c1-16-13-7-4-11(8-13)14-9-10-2-5-12(15)6-3-10/h2-3,5-6,11,13-15H,4,7-9H2,1H3
InChIKeyPTMSXMRWSNMJQW-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.77
Rot. Bonds4

About 4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol

4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol (PubChem CID 103953607) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
PubChem CID103953607
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
SMILESCSC1CCC(NCc2ccc(O)cc2)C1
InChIInChI=1S/C13H19NOS/c1-16-13-7-4-11(8-13)14-9-10-2-5-12(15)6-3-10/h2-3,5-6,11,13-15H,4,7-9H2,1H3
InChIKeyPTMSXMRWSNMJQW-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701416
3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 115656335
2,6-difluoro-4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 113251438
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 103701377
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol
CID 114122743
N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122665
4-[(cyclopentylamino)methyl]phenol
CID 3873791
4-[[(4-methoxycyclohexyl)amino]methyl]phenol
CID 104530017
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122843
4-[[[4-(hydroxymethyl)cyclohexyl]amino]methyl]phenol
CID 112753322

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol?
The IUPAC name of 4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol (CID 103953607) is 4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol is CSC1CCC(NCc2ccc(O)cc2)C1.
What is the InChIKey of 4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol?
The InChIKey is PTMSXMRWSNMJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-16-13-7-4-11(8-13)14-9-10-2-5-12(15)6-3-10/h2-3,5-6,11,13-15H,4,7-9H2,1H3.
What are the key properties of 4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol?
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol has a molecular weight of 237.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol is sourced from PubChem (CID 103953607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).