cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine

C12H19NS — CID 115778964

IUPACcyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)C2CCCC2)sc1C
InChIInChI=1S/C12H19NS/c1-8-7-11(14-9(8)2)12(13)10-5-3-4-6-10/h7,10,12H,3-6,13H2,1-2H3
InChIKeyRWUZNXWCPHSFPA-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.55
Rot. Bonds2

About cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine

cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 115778964) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Namecyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID115778964
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Namecyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)C2CCCC2)sc1C
InChIInChI=1S/C12H19NS/c1-8-7-11(14-9(8)2)12(13)10-5-3-4-6-10/h7,10,12H,3-6,13H2,1-2H3
InChIKeyRWUZNXWCPHSFPA-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014321
1-cyclohexyl-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 114981123
(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 131603717
(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
CID 171235188
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827092
(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314278
cyclopentyl-(2,3,5,6-tetramethylphenyl)methanamine
CID 43110265
cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine (CID 115778964) is cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine is Cc1cc(C(N)C2CCCC2)sc1C.
What is the InChIKey of cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is RWUZNXWCPHSFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-8-7-11(14-9(8)2)12(13)10-5-3-4-6-10/h7,10,12H,3-6,13H2,1-2H3.
What are the key properties of cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine?
cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 209.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 115778964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).