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

C15H20ClNS — CID 171224599

IUPAC(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1csc2ccccc12)C1CCCCC1
InChIInChI=1S/C15H19NS.ClH/c16-15(11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14;/h4-5,8-11,15H,1-3,6-7,16H2;1H/t15-;/m0./s1
InChIKeyPFYQLWQZEHFYDU-RSAXXLAASA-N
MW281.85 g/mol
LogP4.90
Rot. Bonds2

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

(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride (PubChem CID 171224599) has the molecular formula C15H20ClNS and a molecular weight of 281.85 g/mol. Its IUPAC name is (S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
PubChem CID171224599
Molecular FormulaC15H20ClNS
Molecular Weight281.85 g/mol
Exact Mass281.10
IUPAC Name(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1csc2ccccc12)C1CCCCC1
InChIInChI=1S/C15H19NS.ClH/c16-15(11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14;/h4-5,8-11,15H,1-3,6-7,16H2;1H/t15-;/m0./s1
InChIKeyPFYQLWQZEHFYDU-RSAXXLAASA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
CID 171224597
3-[bromo(cyclooctyl)methyl]-1-benzothiophene
CID 65020600
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
1-benzothiophen-3-yl-(3,4-dimethylcyclohexyl)methanamine
CID 104989207
1-benzothiophen-3-yl(oxolan-3-yl)methanamine
CID 61273197
1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797
1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine
CID 115862520
3-[chloro(cyclohexyl)methyl]-1-benzothiophene;thionyl dichloride
CID 159655560
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668
3-(1-chloro-2-cyclohexylethyl)-1-benzothiophene
CID 55200427
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761

Frequently Asked Questions

What is the IUPAC name of (S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride?
The IUPAC name of (S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride (CID 171224599) is (S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride is Cl.N[C@H](c1csc2ccccc12)C1CCCCC1.
What is the InChIKey of (S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride?
The InChIKey is PFYQLWQZEHFYDU-RSAXXLAASA-N. The full InChI is InChI=1S/C15H19NS.ClH/c16-15(11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14;/h4-5,8-11,15H,1-3,6-7,16H2;1H/t15-;/m0./s1.
What are the key properties of (S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride?
(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride has a molecular weight of 281.85 g/mol, XLogP of 4.90, 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(cyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 171224599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).