(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine

C14H17NS — CID 98219426

IUPAC(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine
SMILESCN[C@@H](c1csc2ccccc12)[C@H]1C[C@@H]1C
InChIInChI=1S/C14H17NS/c1-9-7-11(9)14(15-2)12-8-16-13-6-4-3-5-10(12)13/h3-6,8-9,11,14-15H,7H2,1-2H3/t9-,11-,14+/m0/s1
InChIKeyBJAJMOZGDQACAP-NURSFMCSSA-N
MW231.36 g/mol
LogP3.82
Rot. Bonds3

About (1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine

(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine (PubChem CID 98219426) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is (1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine.

Molecular Properties

Compound Name(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine
PubChem CID98219426
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine
SMILESCN[C@@H](c1csc2ccccc12)[C@H]1C[C@@H]1C
InChIInChI=1S/C14H17NS/c1-9-7-11(9)14(15-2)12-8-16-13-6-4-3-5-10(12)13/h3-6,8-9,11,14-15H,7H2,1-2H3/t9-,11-,14+/m0/s1
InChIKeyBJAJMOZGDQACAP-NURSFMCSSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine with MolForge

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Related Compounds

1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107177277
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668
1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797
1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131784
1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950981
1-benzothiophen-3-yl-(3,4-dimethylcyclohexyl)methanamine
CID 104989207
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(1-benzothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43485732
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151844

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine?
The IUPAC name of (1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine (CID 98219426) is (1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine.
What is the SMILES notation for (1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine?
The canonical SMILES for (1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine is CN[C@@H](c1csc2ccccc12)[C@H]1C[C@@H]1C.
What is the InChIKey of (1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine?
The InChIKey is BJAJMOZGDQACAP-NURSFMCSSA-N. The full InChI is InChI=1S/C14H17NS/c1-9-7-11(9)14(15-2)12-8-16-13-6-4-3-5-10(12)13/h3-6,8-9,11,14-15H,7H2,1-2H3/t9-,11-,14+/m0/s1.
What are the key properties of (1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine?
(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine has a molecular weight of 231.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine is sourced from PubChem (CID 98219426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).