N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide

C9H13NO3S2 — CID 71974832

IUPACN-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide
SMILESCN(C(=O)CCc1ccsc1)S(C)(=O)=O
InChIInChI=1S/C9H13NO3S2/c1-10(15(2,12)13)9(11)4-3-8-5-6-14-7-8/h5-7H,3-4H2,1-2H3
InChIKeyJMPYCARINGSSPE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.10
Rot. Bonds4

About N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide

N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide (PubChem CID 71974832) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide
PubChem CID71974832
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC NameN-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide
SMILESCN(C(=O)CCc1ccsc1)S(C)(=O)=O
InChIInChI=1S/C9H13NO3S2/c1-10(15(2,12)13)9(11)4-3-8-5-6-14-7-8/h5-7H,3-4H2,1-2H3
InChIKeyJMPYCARINGSSPE-UHFFFAOYSA-N
XLogP1.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-propylsulfonyl-3-thiophen-3-ylpropanamide
CID 71859563
N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide
CID 71974767
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-thiophen-3-ylpropanamide
CID 72015453
N,N-dimethyl-2-(thiophen-3-yl)acetamide
CID 23273495
(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-3-ylpropanamide
CID 134959545
N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide
CID 71973048
N-ethyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 78858774
N-methyl-3-thiophen-3-ylpropanamide
CID 39958618
N-ethyl-N-(2-methylprop-2-enyl)-3-thiophen-3-ylpropanamide
CID 45798460
1-Thiomorpholin-4-yl-3-thiophen-3-ylpropan-1-one
CID 53517157
(5R)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide
CID 18652236
(5S)-N,N,5-trimethyl-6,6-dioxo-2-sulfamoyl-4H-thieno[2,3-b]thiophene-5-carboxamide
CID 18652239

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide (CID 71974832) is N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide is CN(C(=O)CCc1ccsc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide?
The InChIKey is JMPYCARINGSSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-10(15(2,12)13)9(11)4-3-8-5-6-14-7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide?
N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 71974832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).