N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide

C13H21NOS — CID 121446760

IUPACN,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1sccc1C
InChIInChI=1S/C13H21NOS/c1-6-13(3,4)12(15)14(5)9-11-10(2)7-8-16-11/h7-8H,6,9H2,1-5H3
InChIKeyBVPOXNLFLCCXFZ-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.45
Rot. Bonds4

About N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide

N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (PubChem CID 121446760) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
PubChem CID121446760
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1sccc1C
InChIInChI=1S/C13H21NOS/c1-6-13(3,4)12(15)14(5)9-11-10(2)7-8-16-11/h7-8H,6,9H2,1-5H3
InChIKeyBVPOXNLFLCCXFZ-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide 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 N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (CID 121446760) is N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is CCC(C)(C)C(=O)N(C)Cc1sccc1C.
What is the InChIKey of N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is BVPOXNLFLCCXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-6-13(3,4)12(15)14(5)9-11-10(2)7-8-16-11/h7-8H,6,9H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 239.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 121446760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).