2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine

C16H27NOS — CID 64735769

IUPAC2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1SCc1ccco1
InChIInChI=1S/C16H27NOS/c1-4-7-17-15-10-12(2)9-13(3)16(15)19-11-14-6-5-8-18-14/h5-6,8,12-13,15-17H,4,7,9-11H2,1-3H3
InChIKeyNKVFNWAXMGGSNE-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.32
Rot. Bonds6

About 2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine

2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64735769) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64735769
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1SCc1ccco1
InChIInChI=1S/C16H27NOS/c1-4-7-17-15-10-12(2)9-13(3)16(15)19-11-14-6-5-8-18-14/h5-6,8,12-13,15-17H,4,7,9-11H2,1-3H3
InChIKeyNKVFNWAXMGGSNE-UHFFFAOYSA-N
XLogP4.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64610724
2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
CID 64609500
1-(furan-2-ylmethyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975277
N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine
CID 64609685
N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine
CID 64609908
2-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62616260
3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 64737548
N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64609900
N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 64612353
2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile
CID 63908229
4-ethyl-2-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxylic acid
CID 63098068
4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 114001243

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64735769) is 2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1SCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is NKVFNWAXMGGSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-4-7-17-15-10-12(2)9-13(3)16(15)19-11-14-6-5-8-18-14/h5-6,8,12-13,15-17H,4,7,9-11H2,1-3H3.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64735769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).