(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride

C9H13Cl2NS — CID 171200582

IUPAC(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)s1)C1CCC1
InChIInChI=1S/C9H12ClNS.ClH/c10-8-5-4-7(12-8)9(11)6-2-1-3-6;/h4-6,9H,1-3,11H2;1H/t9-;/m1./s1
InChIKeyGJHHMMCZWBYGLB-SBSPUUFOSA-N
MW238.18 g/mol
LogP3.62
Rot. Bonds2

About (R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride

(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride (PubChem CID 171200582) has the molecular formula C9H13Cl2NS and a molecular weight of 238.18 g/mol. Its IUPAC name is (R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
PubChem CID171200582
Molecular FormulaC9H13Cl2NS
Molecular Weight238.18 g/mol
Exact Mass237.01
IUPAC Name(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)s1)C1CCC1
InChIInChI=1S/C9H12ClNS.ClH/c10-8-5-4-7(12-8)9(11)6-2-1-3-6;/h4-6,9H,1-3,11H2;1H/t9-;/m1./s1
InChIKeyGJHHMMCZWBYGLB-SBSPUUFOSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 95448503
(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
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1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
cyclobutyl-(5-methoxythiophen-2-yl)methanamine
CID 130587724
(5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016183
(R)-cyclopentyl-(5-ethylthiophen-2-yl)methanamine;hydrochloride
CID 171211749
2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid
CID 68972905
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
cycloheptyl-(5-ethylthiophen-2-yl)methanamine
CID 62587234
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
(R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine
CID 131624660

Frequently Asked Questions

What is the IUPAC name of (R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride?
The IUPAC name of (R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride (CID 171200582) is (R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride?
The canonical SMILES for (R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride is Cl.N[C@@H](c1ccc(Cl)s1)C1CCC1.
What is the InChIKey of (R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride?
The InChIKey is GJHHMMCZWBYGLB-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H12ClNS.ClH/c10-8-5-4-7(12-8)9(11)6-2-1-3-6;/h4-6,9H,1-3,11H2;1H/t9-;/m1./s1.
What are the key properties of (R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride?
(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride has a molecular weight of 238.18 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride is sourced from PubChem (CID 171200582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).