(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol

C12H15NOS — CID 94331216

IUPAC(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
SMILESC[C@H](O)CNCc1csc2ccccc12
InChIInChI=1S/C12H15NOS/c1-9(14)6-13-7-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,13-14H,6-7H2,1H3/t9-/m0/s1
InChIKeyYCSRNTPLESVDLB-VIFPVBQESA-N
MW221.33 g/mol
LogP2.37
Rot. Bonds4

About (2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol

(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol (PubChem CID 94331216) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is (2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
PubChem CID94331216
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
SMILESC[C@H](O)CNCc1csc2ccccc12
InChIInChI=1S/C12H15NOS/c1-9(14)6-13-7-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,13-14H,6-7H2,1H3/t9-/m0/s1
InChIKeyYCSRNTPLESVDLB-VIFPVBQESA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol
CID 103631658
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
3-(1-benzothiophen-3-ylmethylamino)-2-methylpropanenitrile
CID 62699047
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
N-(1-benzothiophen-3-ylmethyl)-2,2-diethoxyethanamine
CID 66977939
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CID 115256146
2-(1-benzothiophen-3-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110889955
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide
CID 60704968
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol
CID 62698299

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol?
The IUPAC name of (2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol (CID 94331216) is (2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol is C[C@H](O)CNCc1csc2ccccc12.
What is the InChIKey of (2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol?
The InChIKey is YCSRNTPLESVDLB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15NOS/c1-9(14)6-13-7-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,13-14H,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol?
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol has a molecular weight of 221.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 94331216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).