(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine

C9H12ClNS — CID 80529926

IUPAC(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1sccc1Cl
InChIInChI=1S/C9H12ClNS/c1-5-4-6(5)8(11)9-7(10)2-3-12-9/h2-3,5-6,8H,4,11H2,1H3
InChIKeyCVADWNGNOTZZTI-UHFFFAOYSA-N
MW201.72 g/mol
LogP3.06
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine

(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine (PubChem CID 80529926) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
PubChem CID80529926
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1sccc1Cl
InChIInChI=1S/C9H12ClNS/c1-5-4-6(5)8(11)9-7(10)2-3-12-9/h2-3,5-6,8H,4,11H2,1H3
InChIKeyCVADWNGNOTZZTI-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine
CID 114825332
N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 80529262
1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130961429
(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053033
(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247432
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanamine
CID 107360379
(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
CID 93262194
(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
CID 107177670
(1S,2S)-1-amino-1-(3-chlorothiophen-2-yl)-3-methylbutan-2-ol
CID 130674240
2-(3-chlorothiophen-2-yl)-1-(2-methylcyclopropyl)ethanol
CID 130534531
3-bromo-2-[chloro-(2-methylcyclopropyl)methyl]thiophene
CID 80535825
[(3-chlorothiophen-2-yl)-(3-methylcyclopentyl)methyl]hydrazine
CID 107362061

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine (CID 80529926) is (3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine is CC1CC1C(N)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine?
The InChIKey is CVADWNGNOTZZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-5-4-6(5)8(11)9-7(10)2-3-12-9/h2-3,5-6,8H,4,11H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine?
(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine has a molecular weight of 201.72 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 80529926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).