(2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol

C9H15NOS — CID 834207

IUPAC(2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1ccc(CNC[C@H](C)O)s1
InChIInChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m0/s1
InChIKeyJLVFMHMDKADIAM-ZETCQYMHSA-N
MW185.29 g/mol
LogP1.53
Rot. Bonds4

About (2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol

(2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol (PubChem CID 834207) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
PubChem CID834207
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1ccc(CNC[C@H](C)O)s1
InChIInChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m0/s1
InChIKeyJLVFMHMDKADIAM-ZETCQYMHSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol (CID 834207) is (2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol is Cc1ccc(CNC[C@H](C)O)s1.
What is the InChIKey of (2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is JLVFMHMDKADIAM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol?
(2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 834207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).