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

C10H12N2O2S3 — CID 47454541

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2cccs2)cs1
InChIInChI=1S/C10H12N2O2S3/c1-8-11-9(7-16-8)6-12(2)17(13,14)10-4-3-5-15-10/h3-5,7H,6H2,1-2H3
InChIKeyBCXJGRAPNAJFIT-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.33
Rot. Bonds4

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

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 47454541) has the molecular formula C10H12N2O2S3 and a molecular weight of 288.42 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID47454541
Molecular FormulaC10H12N2O2S3
Molecular Weight288.42 g/mol
Exact Mass288.01
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2cccs2)cs1
InChIInChI=1S/C10H12N2O2S3/c1-8-11-9(7-16-8)6-12(2)17(13,14)10-4-3-5-15-10/h3-5,7H,6H2,1-2H3
InChIKeyBCXJGRAPNAJFIT-UHFFFAOYSA-N
XLogP2.33
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
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
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 71984704
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105358783
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166181462
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
2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102749915
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide
CID 47059713

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (CID 47454541) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is Cc1nc(CN(C)S(=O)(=O)c2cccs2)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is BCXJGRAPNAJFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S3/c1-8-11-9(7-16-8)6-12(2)17(13,14)10-4-3-5-15-10/h3-5,7H,6H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 47454541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).