2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine

C14H23NOS — CID 64610724

IUPAC2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1SCc1ccco1
InChIInChI=1S/C14H23NOS/c1-2-9-15-13-7-3-4-8-14(13)17-11-12-6-5-10-16-12/h5-6,10,13-15H,2-4,7-9,11H2,1H3
InChIKeyDRBPTJDDIOHLDB-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.82
Rot. Bonds6

About 2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine

2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine (PubChem CID 64610724) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
PubChem CID64610724
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1SCc1ccco1
InChIInChI=1S/C14H23NOS/c1-2-9-15-13-7-3-4-8-14(13)17-11-12-6-5-10-16-12/h5-6,10,13-15H,2-4,7-9,11H2,1H3
InChIKeyDRBPTJDDIOHLDB-UHFFFAOYSA-N
XLogP3.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine
CID 64609908
2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735769
2-[(4-chlorophenyl)methylsulfanyl]-N-propylcyclooctan-1-amine
CID 114792663
N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine
CID 64609685
N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64609900
2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
CID 64609500
2-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62616260
6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79847075
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile
CID 63908229

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine (CID 64610724) is 2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1SCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
The InChIKey is DRBPTJDDIOHLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-9-15-13-7-3-4-8-14(13)17-11-12-6-5-10-16-12/h5-6,10,13-15H,2-4,7-9,11H2,1H3.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.82, 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)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64610724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).