6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine

C14H23NOS — CID 79847075

IUPAC6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(SCc2ccco2)CCCC1(C)C
InChIInChI=1S/C14H23NOS/c1-14(2)8-4-7-12(13(14)15-3)17-10-11-6-5-9-16-11/h5-6,9,12-13,15H,4,7-8,10H2,1-3H3
InChIKeyIIHRGEAHKPXQGR-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.68
Rot. Bonds4

About 6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine

6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine (PubChem CID 79847075) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine
PubChem CID79847075
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(SCc2ccco2)CCCC1(C)C
InChIInChI=1S/C14H23NOS/c1-14(2)8-4-7-12(13(14)15-3)17-10-11-6-5-9-16-11/h5-6,9,12-13,15H,4,7-8,10H2,1-3H3
InChIKeyIIHRGEAHKPXQGR-UHFFFAOYSA-N
XLogP3.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
CID 64609500
2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64610724
N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64609900
2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64609273
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79855711
N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 79847351
1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
CID 79637513
N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine
CID 64609908
3-(furan-2-ylmethylsulfanyl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79637807
2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 79841962
4-(furan-2-ylmethylsulfanyl)azepane
CID 126974894
N-[2-(furan-2-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
CID 138571933

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine?
The IUPAC name of 6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine (CID 79847075) is 6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine?
The canonical SMILES for 6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine is CNC1C(SCc2ccco2)CCCC1(C)C.
What is the InChIKey of 6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine?
The InChIKey is IIHRGEAHKPXQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-14(2)8-4-7-12(13(14)15-3)17-10-11-6-5-9-16-11/h5-6,9,12-13,15H,4,7-8,10H2,1-3H3.
What are the key properties of 6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine?
6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79847075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).