N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine

C13H20ClNS2 — CID 102976624

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NC(C)c1csc(Cl)c1
InChIInChI=1S/C13H20ClNS2/c1-9(10-7-13(14)17-8-10)15-11-5-3-4-6-12(11)16-2/h7-9,11-12,15H,3-6H2,1-2H3
InChIKeyMAJAUTRWIUCYEB-UHFFFAOYSA-N
MW289.90 g/mol
LogP4.73
Rot. Bonds4

About N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine

N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 102976624) has the molecular formula C13H20ClNS2 and a molecular weight of 289.90 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID102976624
Molecular FormulaC13H20ClNS2
Molecular Weight289.90 g/mol
Exact Mass289.07
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NC(C)c1csc(Cl)c1
InChIInChI=1S/C13H20ClNS2/c1-9(10-7-13(14)17-8-10)15-11-5-3-4-6-12(11)16-2/h7-9,11-12,15H,3-6H2,1-2H3
InChIKeyMAJAUTRWIUCYEB-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.90
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786716
N-[1-(5-chlorothiophen-3-yl)ethyl]cyclopent-3-en-1-amine
CID 102976675
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 103882855
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine
CID 102976313
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 102976529
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786631
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 113278101
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113262274
N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786666
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786580
1-(5-chlorothiophen-3-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 102976400

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine (CID 102976624) is N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NC(C)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is MAJAUTRWIUCYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS2/c1-9(10-7-13(14)17-8-10)15-11-5-3-4-6-12(11)16-2/h7-9,11-12,15H,3-6H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 289.90 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 102976624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).