N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide

C10H17NO2S2 — CID 65245329

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C10H17NO2S2/c1-4-5-15(12,13)11-7-10-6-8(2)9(3)14-10/h6,11H,4-5,7H2,1-3H3
InChIKeyULLZHINWDRIUOM-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.19
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide

N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide (PubChem CID 65245329) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide
PubChem CID65245329
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C10H17NO2S2/c1-4-5-15(12,13)11-7-10-6-8(2)9(3)14-10/h6,11H,4-5,7H2,1-3H3
InChIKeyULLZHINWDRIUOM-UHFFFAOYSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 65243947
1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide
CID 65245746
methyl 4-[(4,5-dimethylthiophen-2-yl)methylsulfamoyl]butanoate
CID 65246530
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 79570103
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine
CID 65243774
3-amino-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246459
N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide
CID 47071854
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide
CID 65246264
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 65246698
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 65243443
4-amino-3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246067
4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65244040

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide (CID 65245329) is N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is ULLZHINWDRIUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-4-5-15(12,13)11-7-10-6-8(2)9(3)14-10/h6,11H,4-5,7H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 247.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 65245329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).