N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine

C15H29NOS — CID 104755637

IUPACN-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSC1CCCC(C)C1)C1CCOC1
InChIInChI=1S/C15H29NOS/c1-3-16-15(13-7-8-17-10-13)11-18-14-6-4-5-12(2)9-14/h12-16H,3-11H2,1-2H3
InChIKeyJTMNIJJQKIQBTR-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine

N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104755637) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine
PubChem CID104755637
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSC1CCCC(C)C1)C1CCOC1
InChIInChI=1S/C15H29NOS/c1-3-16-15(13-7-8-17-10-13)11-18-14-6-4-5-12(2)9-14/h12-16H,3-11H2,1-2H3
InChIKeyJTMNIJJQKIQBTR-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
CID 64632799
2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113449540
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107136426
2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide
CID 114234985
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 63936484
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
N'-cyclopentyl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448037
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66070583
N-ethyl-N'-methyl-N'-(4-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745242

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine (CID 104755637) is N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine is CCNC(CSC1CCCC(C)C1)C1CCOC1.
What is the InChIKey of N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is JTMNIJJQKIQBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-3-16-15(13-7-8-17-10-13)11-18-14-6-4-5-12(2)9-14/h12-16H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 271.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104755637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).