(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride

C12H14ClNS — CID 171224597

IUPAC(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1csc2ccccc12)C1CC1
InChIInChI=1S/C12H13NS.ClH/c13-12(8-5-6-8)10-7-14-11-4-2-1-3-9(10)11;/h1-4,7-8,12H,5-6,13H2;1H/t12-;/m0./s1
InChIKeySNVNSPWSNQXKNH-YDALLXLXSA-N
MW239.77 g/mol
LogP3.73
Rot. Bonds2

About (S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride

(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride (PubChem CID 171224597) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is (S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
PubChem CID171224597
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1csc2ccccc12)C1CC1
InChIInChI=1S/C12H13NS.ClH/c13-12(8-5-6-8)10-7-14-11-4-2-1-3-9(10)11;/h1-4,7-8,12H,5-6,13H2;1H/t12-;/m0./s1
InChIKeySNVNSPWSNQXKNH-YDALLXLXSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
CID 171224599
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
1-benzothiophen-3-yl-(3,4-dimethylcyclohexyl)methanamine
CID 104989207
1-benzothiophen-3-yl(oxolan-3-yl)methanamine
CID 61273197
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668
3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine
CID 91516670
1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine
CID 115862520
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
3-[bromo(cyclooctyl)methyl]-1-benzothiophene
CID 65020600
3-(1-chloro-2-cyclopropylethyl)-1-benzothiophene
CID 63432700
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910

Frequently Asked Questions

What is the IUPAC name of (S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride?
The IUPAC name of (S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride (CID 171224597) is (S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride?
The canonical SMILES for (S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride is Cl.N[C@H](c1csc2ccccc12)C1CC1.
What is the InChIKey of (S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride?
The InChIKey is SNVNSPWSNQXKNH-YDALLXLXSA-N. The full InChI is InChI=1S/C12H13NS.ClH/c13-12(8-5-6-8)10-7-14-11-4-2-1-3-9(10)11;/h1-4,7-8,12H,5-6,13H2;1H/t12-;/m0./s1.
What are the key properties of (S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride?
(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride has a molecular weight of 239.77 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride is sourced from PubChem (CID 171224597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).