N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide

C10H15NOS2 — CID 115167982

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
SMILESCc1ccsc1CN(C)C(=O)CCS
InChIInChI=1S/C10H15NOS2/c1-8-4-6-14-9(8)7-11(2)10(12)3-5-13/h4,6,13H,3,5,7H2,1-2H3
InChIKeyXFNBAXDANOTBPO-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.33
Rot. Bonds4

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide (PubChem CID 115167982) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
PubChem CID115167982
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
SMILESCc1ccsc1CN(C)C(=O)CCS
InChIInChI=1S/C10H15NOS2/c1-8-4-6-14-9(8)7-11(2)10(12)3-5-13/h4,6,13H,3,5,7H2,1-2H3
InChIKeyXFNBAXDANOTBPO-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
6-amino-N,4,4-trimethyl-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 65290725
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
CID 63324337
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
3-(4-chlorophenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 9020428
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60952628
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119689284

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide (CID 115167982) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide is Cc1ccsc1CN(C)C(=O)CCS.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide?
The InChIKey is XFNBAXDANOTBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-8-4-6-14-9(8)7-11(2)10(12)3-5-13/h4,6,13H,3,5,7H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide has a molecular weight of 229.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide is sourced from PubChem (CID 115167982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).