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

C10H15NO2S — CID 115139250

IUPAC3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CN(C)C(=O)CCO
InChIInChI=1S/C10H15NO2S/c1-8-4-6-14-9(8)7-11(2)10(13)3-5-12/h4,6,12H,3,5,7H2,1-2H3
InChIKeyLWQGXBQZHBCEFC-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.40
Rot. Bonds4

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

3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 115139250) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID115139250
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CN(C)C(=O)CCO
InChIInChI=1S/C10H15NO2S/c1-8-4-6-14-9(8)7-11(2)10(13)3-5-12/h4,6,12H,3,5,7H2,1-2H3
InChIKeyLWQGXBQZHBCEFC-UHFFFAOYSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
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
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 115139250) is 3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is Cc1ccsc1CN(C)C(=O)CCO.
What is the InChIKey of 3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is LWQGXBQZHBCEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8-4-6-14-9(8)7-11(2)10(13)3-5-12/h4,6,12H,3,5,7H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 213.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 115139250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).