N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine

C12H19NOS — CID 115633827

IUPACN-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NCc2ccco2)C1
InChIInChI=1S/C12H19NOS/c1-15-12-6-2-4-10(8-12)13-9-11-5-3-7-14-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3
InChIKeyDFVIUYBWETVQHX-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.04
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine

N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine (PubChem CID 115633827) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
PubChem CID115633827
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NCc2ccco2)C1
InChIInChI=1S/C12H19NOS/c1-15-12-6-2-4-10(8-12)13-9-11-5-3-7-14-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3
InChIKeyDFVIUYBWETVQHX-UHFFFAOYSA-N
XLogP3.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
CID 115656792
N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103527317
N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103908817
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine
CID 110056178
N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122241
methyl 2-[5-[[(3-methylsulfanylcyclohexyl)amino]methyl]thiophen-2-yl]acetate
CID 103923019
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113237893
2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103735291
N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53350337

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine (CID 115633827) is N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine is CSC1CCCC(NCc2ccco2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine?
The InChIKey is DFVIUYBWETVQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-15-12-6-2-4-10(8-12)13-9-11-5-3-7-14-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine?
N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 115633827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).