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

C10H17NOS — CID 3156001

IUPAC2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1sccc1C
InChIInChI=1S/C10H17NOS/c1-3-9(7-12)11-6-10-8(2)4-5-13-10/h4-5,9,11-12H,3,6-7H2,1-2H3
InChIKeyWWSKFEIFENZNJV-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.92
Rot. Bonds5

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

2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol (PubChem CID 3156001) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol
PubChem CID3156001
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1sccc1C
InChIInChI=1S/C10H17NOS/c1-3-9(7-12)11-6-10-8(2)4-5-13-10/h4-5,9,11-12H,3,6-7H2,1-2H3
InChIKeyWWSKFEIFENZNJV-UHFFFAOYSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol (CID 3156001) is 2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol is CCC(CO)NCc1sccc1C.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol?
The InChIKey is WWSKFEIFENZNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-9(7-12)11-6-10-8(2)4-5-13-10/h4-5,9,11-12H,3,6-7H2,1-2H3.
What are the key properties of 2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol?
2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 3156001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).