1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine

C14H27NOS — CID 104755747

IUPAC1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
SMILESCNC(CSC1CCOCC1)C1CCCCC1
InChIInChI=1S/C14H27NOS/c1-15-14(12-5-3-2-4-6-12)11-17-13-7-9-16-10-8-13/h12-15H,2-11H2,1H3
InChIKeyVCSGTNNQEKEADZ-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.07
Rot. Bonds5

About 1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine

1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine (PubChem CID 104755747) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
PubChem CID104755747
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
SMILESCNC(CSC1CCOCC1)C1CCCCC1
InChIInChI=1S/C14H27NOS/c1-15-14(12-5-3-2-4-6-12)11-17-13-7-9-16-10-8-13/h12-15H,2-11H2,1H3
InChIKeyVCSGTNNQEKEADZ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylethanamine
CID 79910267
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800
2-(methylamino)-3-(oxan-4-ylsulfanyl)propanenitrile
CID 62989257
1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
CID 65399325
N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116948007
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]hydrazine
CID 107139567
N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107136426
4-(2,2-dimethoxyethylsulfanyl)oxane
CID 66222578
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 66144743
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine (CID 104755747) is 1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine is CNC(CSC1CCOCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine?
The InChIKey is VCSGTNNQEKEADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-15-14(12-5-3-2-4-6-12)11-17-13-7-9-16-10-8-13/h12-15H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine?
1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine has a molecular weight of 257.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine is sourced from PubChem (CID 104755747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).