1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol

C9H15NOS — CID 2772081

IUPAC1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1ccsc1CNCC(C)O
InChIInChI=1S/C9H15NOS/c1-7-3-4-12-9(7)6-10-5-8(2)11/h3-4,8,10-11H,5-6H2,1-2H3
InChIKeyIRXFDSBXEGLIFN-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.53
Rot. Bonds4

About 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol

1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol (PubChem CID 2772081) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
PubChem CID2772081
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1ccsc1CNCC(C)O
InChIInChI=1S/C9H15NOS/c1-7-3-4-12-9(7)6-10-5-8(2)11/h3-4,8,10-11H,5-6H2,1-2H3
InChIKeyIRXFDSBXEGLIFN-UHFFFAOYSA-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 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol (CID 2772081) is 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol is Cc1ccsc1CNCC(C)O.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is IRXFDSBXEGLIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7-3-4-12-9(7)6-10-5-8(2)11/h3-4,8,10-11H,5-6H2,1-2H3.
What are the key properties of 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
1-[(3-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 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 2772081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).