2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide

C12H16N2O3S3 — CID 102749915

IUPAC2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2c(C)csc2CO)cs1
InChIInChI=1S/C12H16N2O3S3/c1-8-6-19-11(5-15)12(8)20(16,17)14(3)4-10-7-18-9(2)13-10/h6-7,15H,4-5H2,1-3H3
InChIKeyDCLOZIWBWAURIJ-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.13
Rot. Bonds5

About 2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide

2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide (PubChem CID 102749915) has the molecular formula C12H16N2O3S3 and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
PubChem CID102749915
Molecular FormulaC12H16N2O3S3
Molecular Weight332.47 g/mol
Exact Mass332.03
IUPAC Name2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2c(C)csc2CO)cs1
InChIInChI=1S/C12H16N2O3S3/c1-8-6-19-11(5-15)12(8)20(16,17)14(3)4-10-7-18-9(2)13-10/h6-7,15H,4-5H2,1-3H3
InChIKeyDCLOZIWBWAURIJ-UHFFFAOYSA-N
XLogP2.13
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dimethyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102753031
N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749783
N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749832
2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 102750178
3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105358783
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 47454541
2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749841
2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62157082
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80735745
4-bromo-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 116528525
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110718209
4-(aminomethyl)-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 107091430

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide (CID 102749915) is 2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide is Cc1nc(CN(C)S(=O)(=O)c2c(C)csc2CO)cs1.
What is the InChIKey of 2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is DCLOZIWBWAURIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S3/c1-8-6-19-11(5-15)12(8)20(16,17)14(3)4-10-7-18-9(2)13-10/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide?
2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 332.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 102749915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).