2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

C9H14N2OS — CID 60718810

IUPAC2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)CN
InChIInChI=1S/C9H14N2OS/c1-7-3-4-13-8(7)6-11(2)9(12)5-10/h3-4H,5-6,10H2,1-2H3
InChIKeyPTDFLPJHLNDWTJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.97
Rot. Bonds3

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

2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 60718810) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID60718810
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)CN
InChIInChI=1S/C9H14N2OS/c1-7-3-4-13-8(7)6-11(2)9(12)5-10/h3-4H,5-6,10H2,1-2H3
InChIKeyPTDFLPJHLNDWTJ-UHFFFAOYSA-N
XLogP0.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
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
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119689266
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
CID 63324337
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60952628

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 60718810) is 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CN(C)C(=O)CN.
What is the InChIKey of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is PTDFLPJHLNDWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-3-4-13-8(7)6-11(2)9(12)5-10/h3-4H,5-6,10H2,1-2H3.
What are the key properties of 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 198.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 60718810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).