N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine

C14H23NS2 — CID 64736359

IUPACN-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1cccs1
InChIInChI=1S/C14H23NS2/c1-4-15-12-9-10(2)8-11(3)14(12)17-13-6-5-7-16-13/h5-7,10-12,14-15H,4,8-9H2,1-3H3
InChIKeyLSRUQAKAYPZIID-UHFFFAOYSA-N
MW269.48 g/mol
LogP4.25
Rot. Bonds4

About N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine (PubChem CID 64736359) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine
PubChem CID64736359
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC NameN-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1cccs1
InChIInChI=1S/C14H23NS2/c1-4-15-12-9-10(2)8-11(3)14(12)17-13-6-5-7-16-13/h5-7,10-12,14-15H,4,8-9H2,1-3H3
InChIKeyLSRUQAKAYPZIID-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735197
N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735978
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine
CID 64753066
N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64737359
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734811
N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64735986
2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine
CID 64906327
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734796
N-methyl-4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64612754
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64737227
N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine
CID 64613802
N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine
CID 64753175

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine (CID 64736359) is N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine is CCNC1CC(C)CC(C)C1Sc1cccs1.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine?
The InChIKey is LSRUQAKAYPZIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-4-15-12-9-10(2)8-11(3)14(12)17-13-6-5-7-16-13/h5-7,10-12,14-15H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64736359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).