2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine

C11H14ClNS — CID 130678457

IUPAC2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine
SMILESCC1=CCC(Nc2ccsc2Cl)CC1
InChIInChI=1S/C11H14ClNS/c1-8-2-4-9(5-3-8)13-10-6-7-14-11(10)12/h2,6-7,9,13H,3-5H2,1H3
InChIKeyNNOJEOFHHSGNCT-UHFFFAOYSA-N
MW227.76 g/mol
LogP4.31
Rot. Bonds2

About 2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine

2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine (PubChem CID 130678457) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine
PubChem CID130678457
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine
SMILESCC1=CCC(Nc2ccsc2Cl)CC1
InChIInChI=1S/C11H14ClNS/c1-8-2-4-9(5-3-8)13-10-6-7-14-11(10)12/h2,6-7,9,13H,3-5H2,1H3
InChIKeyNNOJEOFHHSGNCT-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine?
The IUPAC name of 2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine (CID 130678457) is 2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine.
What is the SMILES notation for 2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine?
The canonical SMILES for 2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine is CC1=CCC(Nc2ccsc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine?
The InChIKey is NNOJEOFHHSGNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-8-2-4-9(5-3-8)13-10-6-7-14-11(10)12/h2,6-7,9,13H,3-5H2,1H3.
What are the key properties of 2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine?
2-chloro-N-(4-methylcyclohex-3-en-1-yl)thiophen-3-amine has a molecular weight of 227.76 g/mol, XLogP of 4.31, 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-methylcyclohex-3-en-1-yl)thiophen-3-amine is sourced from PubChem (CID 130678457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).