2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine

C11H16ClNS — CID 131025706

IUPAC2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine
SMILESCC1CCC(Nc2ccsc2Cl)CC1
InChIInChI=1S/C11H16ClNS/c1-8-2-4-9(5-3-8)13-10-6-7-14-11(10)12/h6-9,13H,2-5H2,1H3
InChIKeyZUJBJZZNRPBFQN-UHFFFAOYSA-N
MW229.78 g/mol
LogP4.39
Rot. Bonds2

About 2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine

2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine (PubChem CID 131025706) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine
PubChem CID131025706
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine
SMILESCC1CCC(Nc2ccsc2Cl)CC1
InChIInChI=1S/C11H16ClNS/c1-8-2-4-9(5-3-8)13-10-6-7-14-11(10)12/h6-9,13H,2-5H2,1H3
InChIKeyZUJBJZZNRPBFQN-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine?
The IUPAC name of 2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine (CID 131025706) is 2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine.
What is the SMILES notation for 2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine?
The canonical SMILES for 2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine is CC1CCC(Nc2ccsc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine?
The InChIKey is ZUJBJZZNRPBFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-8-2-4-9(5-3-8)13-10-6-7-14-11(10)12/h6-9,13H,2-5H2,1H3.
What are the key properties of 2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine?
2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine has a molecular weight of 229.78 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylcyclohexyl)thiophen-3-amine is sourced from PubChem (CID 131025706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).