N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide

C9H13NO3S2 — CID 102749752

IUPACN-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H13NO3S2/c1-6-5-14-8(4-11)9(6)15(12,13)10-7-2-3-7/h5,7,10-11H,2-4H2,1H3
InChIKeyNQDFJPWIMBHORC-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.99
Rot. Bonds4

About N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide

N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 102749752) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
PubChem CID102749752
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC NameN-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H13NO3S2/c1-6-5-14-8(4-11)9(6)15(12,13)10-7-2-3-7/h5,7,10-11H,2-4H2,1H3
InChIKeyNQDFJPWIMBHORC-UHFFFAOYSA-N
XLogP0.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
CID 106068928
N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106002341
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
N-(3,3-dimethylbutyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 114135631
2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 106086348
2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 102750058
2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 102750136
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748547
2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide
CID 102750244
2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide
CID 102753338

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide (CID 102749752) is N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is NQDFJPWIMBHORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-6-5-14-8(4-11)9(6)15(12,13)10-7-2-3-7/h5,7,10-11H,2-4H2,1H3.
What are the key properties of N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 247.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102749752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).