3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide

C10H12N2OS — CID 115173840

IUPAC3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CNC(=O)CCC#N
InChIInChI=1S/C10H12N2OS/c1-8-4-6-14-9(8)7-12-10(13)3-2-5-11/h4,6H,2-3,7H2,1H3,(H,12,13)
InChIKeyXGFWKDJPOMZZIK-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.98
Rot. Bonds4

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

3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 115173840) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID115173840
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CNC(=O)CCC#N
InChIInChI=1S/C10H12N2OS/c1-8-4-6-14-9(8)7-12-10(13)3-2-5-11/h4,6H,2-3,7H2,1H3,(H,12,13)
InChIKeyXGFWKDJPOMZZIK-UHFFFAOYSA-N
XLogP1.98
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32958843
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 82851695
4-(3,4-dimethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32989416
N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide
CID 134056517
4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32958226
3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115173755
2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111331996
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
3-(2-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 134056529
4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 134056527
3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide
CID 115184750

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 115173840) is 3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide is Cc1ccsc1CNC(=O)CCC#N.
What is the InChIKey of 3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is XGFWKDJPOMZZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-8-4-6-14-9(8)7-12-10(13)3-2-5-11/h4,6H,2-3,7H2,1H3,(H,12,13).
What are the key properties of 3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide?
3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 208.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 115173840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).