3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol

C10H17NOS — CID 115345999

IUPAC3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol
SMILESCc1cc(C(O)CCN(C)C)cs1
InChIInChI=1S/C10H17NOS/c1-8-6-9(7-13-8)10(12)4-5-11(2)3/h6-7,10,12H,4-5H2,1-3H3
InChIKeyLDBYSMHXTVCSKH-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.04
Rot. Bonds4

About 3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol

3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol (PubChem CID 115345999) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol
PubChem CID115345999
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol
SMILESCc1cc(C(O)CCN(C)C)cs1
InChIInChI=1S/C10H17NOS/c1-8-6-9(7-13-8)10(12)4-5-11(2)3/h6-7,10,12H,4-5H2,1-3H3
InChIKeyLDBYSMHXTVCSKH-UHFFFAOYSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol (CID 115345999) is 3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol is Cc1cc(C(O)CCN(C)C)cs1.
What is the InChIKey of 3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol?
The InChIKey is LDBYSMHXTVCSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8-6-9(7-13-8)10(12)4-5-11(2)3/h6-7,10,12H,4-5H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol?
3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 115345999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).