3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide

C12H20N2OS — CID 50958045

IUPAC3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide
SMILESCc1ccsc1CN(CCC(N)=O)C(C)C
InChIInChI=1S/C12H20N2OS/c1-9(2)14(6-4-12(13)15)8-11-10(3)5-7-16-11/h5,7,9H,4,6,8H2,1-3H3,(H2,13,15)
InChIKeyVHPAKRVLIBDNLJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.14
Rot. Bonds6

About 3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide

3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide (PubChem CID 50958045) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide.

Molecular Properties

Compound Name3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide
PubChem CID50958045
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide
SMILESCc1ccsc1CN(CCC(N)=O)C(C)C
InChIInChI=1S/C12H20N2OS/c1-9(2)14(6-4-12(13)15)8-11-10(3)5-7-16-11/h5,7,9H,4,6,8H2,1-3H3,(H2,13,15)
InChIKeyVHPAKRVLIBDNLJ-UHFFFAOYSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide?
The IUPAC name of 3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide (CID 50958045) is 3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide.
What is the SMILES notation for 3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide?
The canonical SMILES for 3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide is Cc1ccsc1CN(CCC(N)=O)C(C)C.
What is the InChIKey of 3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide?
The InChIKey is VHPAKRVLIBDNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)14(6-4-12(13)15)8-11-10(3)5-7-16-11/h5,7,9H,4,6,8H2,1-3H3,(H2,13,15).
What are the key properties of 3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide?
3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide has a molecular weight of 240.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]propanamide is sourced from PubChem (CID 50958045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).