2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine

C13H21NOS — CID 64609500

IUPAC2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1SCc1ccco1
InChIInChI=1S/C13H21NOS/c1-10-5-6-12(14-2)13(8-10)16-9-11-4-3-7-15-11/h3-4,7,10,12-14H,5-6,8-9H2,1-2H3
InChIKeyKSFJHQZWLBZFPU-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.29
Rot. Bonds4

About 2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine

2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine (PubChem CID 64609500) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
PubChem CID64609500
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1SCc1ccco1
InChIInChI=1S/C13H21NOS/c1-10-5-6-12(14-2)13(8-10)16-9-11-4-3-7-15-11/h3-4,7,10,12-14H,5-6,8-9H2,1-2H3
InChIKeyKSFJHQZWLBZFPU-UHFFFAOYSA-N
XLogP3.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine
CID 64609685
2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64610724
2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64609273
6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79847075
2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735769
N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine
CID 64609908
4-ethyl-2-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxylic acid
CID 63098068
N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64609900
3-(furan-2-ylmethylsulfanyl)oxan-4-amine
CID 64610716
2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
CID 64619503
1-[2-(furan-2-yl)ethyl]-N,2,3-trimethylpiperidin-4-amine
CID 79398564
2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
CID 64620731

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine (CID 64609500) is 2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine is CNC1CCC(C)CC1SCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine?
The InChIKey is KSFJHQZWLBZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-5-6-12(14-2)13(8-10)16-9-11-4-3-7-15-11/h3-4,7,10,12-14H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine?
2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64609500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).