N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide

C10H17NO2S2 — CID 61383956

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1sccc1C
InChIInChI=1S/C10H17NO2S2/c1-4-7-15(12,13)11(3)8-10-9(2)5-6-14-10/h5-6H,4,7-8H2,1-3H3
InChIKeyDQPQUPSYTYZCHE-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.23
Rot. Bonds5

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide (PubChem CID 61383956) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide
PubChem CID61383956
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1sccc1C
InChIInChI=1S/C10H17NO2S2/c1-4-7-15(12,13)11(3)8-10-9(2)5-6-14-10/h5-6H,4,7-8H2,1-3H3
InChIKeyDQPQUPSYTYZCHE-UHFFFAOYSA-N
XLogP2.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide (CID 61383956) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)N(C)Cc1sccc1C.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is DQPQUPSYTYZCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-4-7-15(12,13)11(3)8-10-9(2)5-6-14-10/h5-6H,4,7-8H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 247.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 61383956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).