2-(3-chlorothiophen-2-yl)cycloheptan-1-amine

C11H16ClNS — CID 107360705

IUPAC2-(3-chlorothiophen-2-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1c1sccc1Cl
InChIInChI=1S/C11H16ClNS/c12-9-6-7-14-11(9)8-4-2-1-3-5-10(8)13/h6-8,10H,1-5,13H2
InChIKeyFDZQINHJOCHODS-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.78
Rot. Bonds1

About 2-(3-chlorothiophen-2-yl)cycloheptan-1-amine

2-(3-chlorothiophen-2-yl)cycloheptan-1-amine (PubChem CID 107360705) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)cycloheptan-1-amine
PubChem CID107360705
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name2-(3-chlorothiophen-2-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1c1sccc1Cl
InChIInChI=1S/C11H16ClNS/c12-9-6-7-14-11(9)8-4-2-1-3-5-10(8)13/h6-8,10H,1-5,13H2
InChIKeyFDZQINHJOCHODS-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(2-chlorocycloheptyl)thiophene
CID 107360698
N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 107361249
3-(3-chlorothiophen-2-yl)pyrrolidine
CID 82655748
3-chloro-2-[chloro(cyclooctyl)methyl]thiophene
CID 80530285
3-chloro-2-methylthiophene;cyclohexane
CID 174875843
cis-(1R,2R)-2-(2-chlorophenyl)cyclopentan-1-amine
CID 94869146
cis-(1R,2R)-2-(4-chlorophenyl)cyclopentan-1-amine
CID 11095547
2-(5-methylthiophen-3-yl)cyclohexan-1-amine
CID 65104425
N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 107361277
N-[[2-(3-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 107361308
2-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 21319672
1-(3-chlorothiophen-2-yl)cycloheptan-1-ol
CID 107358955

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)cycloheptan-1-amine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)cycloheptan-1-amine (CID 107360705) is 2-(3-chlorothiophen-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)cycloheptan-1-amine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)cycloheptan-1-amine is NC1CCCCCC1c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)cycloheptan-1-amine?
The InChIKey is FDZQINHJOCHODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c12-9-6-7-14-11(9)8-4-2-1-3-5-10(8)13/h6-8,10H,1-5,13H2.
What are the key properties of 2-(3-chlorothiophen-2-yl)cycloheptan-1-amine?
2-(3-chlorothiophen-2-yl)cycloheptan-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 107360705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).