5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide

C12H20N2O3S3 — CID 106327348

IUPAC5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCSCC2)sc1CO
InChIInChI=1S/C12H20N2O3S3/c1-10-8-12(19-11(10)9-15)20(16,17)13-2-3-14-4-6-18-7-5-14/h8,13,15H,2-7,9H2,1H3
InChIKeyWGJXIHUXPXPLLQ-UHFFFAOYSA-N
MW336.50 g/mol
LogP0.88
Rot. Bonds6

About 5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide

5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide (PubChem CID 106327348) has the molecular formula C12H20N2O3S3 and a molecular weight of 336.50 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
PubChem CID106327348
Molecular FormulaC12H20N2O3S3
Molecular Weight336.50 g/mol
Exact Mass336.06
IUPAC Name5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCSCC2)sc1CO
InChIInChI=1S/C12H20N2O3S3/c1-10-8-12(19-11(10)9-15)20(16,17)13-2-3-14-4-6-18-7-5-14/h8,13,15H,2-7,9H2,1H3
InChIKeyWGJXIHUXPXPLLQ-UHFFFAOYSA-N
XLogP0.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(hydroxymethyl)-4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 106022534
N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 114132067
4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327319
2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 113248054
N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 115409009
5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 103100358
5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327381
5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide
CID 128586351
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106410661
5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
CID 114134527
5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114132191

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide (CID 106327348) is 5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCN2CCSCC2)sc1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide?
The InChIKey is WGJXIHUXPXPLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S3/c1-10-8-12(19-11(10)9-15)20(16,17)13-2-3-14-4-6-18-7-5-14/h8,13,15H,2-7,9H2,1H3.
What are the key properties of 5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide?
5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide has a molecular weight of 336.50 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106327348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).