3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide

C9H13NO3S2 — CID 131909908

IUPAC3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCS(=O)(=O)CCC(=O)NCc1cccs1
InChIInChI=1S/C9H13NO3S2/c1-15(12,13)6-4-9(11)10-7-8-3-2-5-14-8/h2-3,5H,4,6-7H2,1H3,(H,10,11)
InChIKeyQTXFIIPPSZMSBO-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.80
Rot. Bonds5

About 3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide

3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 131909908) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID131909908
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Name3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCS(=O)(=O)CCC(=O)NCc1cccs1
InChIInChI=1S/C9H13NO3S2/c1-15(12,13)6-4-9(11)10-7-8-3-2-5-14-8/h2-3,5H,4,6-7H2,1H3,(H,10,11)
InChIKeyQTXFIIPPSZMSBO-UHFFFAOYSA-N
XLogP0.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
CID 47028254
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 39050613
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
CID 51362734
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
CID 38415489
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
3-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-propan-2-ylamino]propanoic acid
CID 60832973

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide (CID 131909908) is 3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide is CS(=O)(=O)CCC(=O)NCc1cccs1.
What is the InChIKey of 3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is QTXFIIPPSZMSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-15(12,13)6-4-9(11)10-7-8-3-2-5-14-8/h2-3,5H,4,6-7H2,1H3,(H,10,11).
What are the key properties of 3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide?
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 131909908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).