1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine

C17H23NS — CID 43485761

IUPAC1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1csc2ccccc12
InChIInChI=1S/C17H23NS/c1-18-16(11-13-7-3-2-4-8-13)15-12-19-17-10-6-5-9-14(15)17/h5-6,9-10,12-13,16,18H,2-4,7-8,11H2,1H3
InChIKeyXSVWBDMWYIKNEI-UHFFFAOYSA-N
MW273.44 g/mol
LogP5.13
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine

1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine (PubChem CID 43485761) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
PubChem CID43485761
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1csc2ccccc12
InChIInChI=1S/C17H23NS/c1-18-16(11-13-7-3-2-4-8-13)15-12-19-17-10-6-5-9-14(15)17/h5-6,9-10,12-13,16,18H,2-4,7-8,11H2,1H3
InChIKeyXSVWBDMWYIKNEI-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797
3-(1-chloro-2-cyclohexylethyl)-1-benzothiophene
CID 55200427
1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 43492319
1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine
CID 43485837
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
3-[bromo(cyclooctyl)methyl]-1-benzothiophene
CID 65020600
3-(1-chloro-2-cyclopropylethyl)-1-benzothiophene
CID 63432700
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65386100
4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
CID 116953028

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine (CID 43485761) is 1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine is CNC(CC1CCCCC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine?
The InChIKey is XSVWBDMWYIKNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-18-16(11-13-7-3-2-4-8-13)15-12-19-17-10-6-5-9-14(15)17/h5-6,9-10,12-13,16,18H,2-4,7-8,11H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine?
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine has a molecular weight of 273.44 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 43485761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).