1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea

C9H15N3O3S2 — CID 47132005

IUPAC1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1
InChIInChI=1S/C9H15N3O3S2/c1-10-9(13)11-6-7-4-5-8(16-7)17(14,15)12(2)3/h4-5H,6H2,1-3H3,(H2,10,11,13)
InChIKeyFCUICYYGSURZIB-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.43
Rot. Bonds4

About 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea

1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea (PubChem CID 47132005) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
PubChem CID47132005
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1
InChIInChI=1S/C9H15N3O3S2/c1-10-9(13)11-6-7-4-5-8(16-7)17(14,15)12(2)3/h4-5H,6H2,1-3H3,(H2,10,11,13)
InChIKeyFCUICYYGSURZIB-UHFFFAOYSA-N
XLogP0.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea
CID 17445044
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(1S)-3-methyl-1-phenylbutyl]urea
CID 36520315
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea
CID 24612288
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53112482
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methoxybenzamide
CID 37017962
4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 33306976
(2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide
CID 52519602
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244881
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 33307839
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232739
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea (CID 47132005) is 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea is CNC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea?
The InChIKey is FCUICYYGSURZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-10-9(13)11-6-7-4-5-8(16-7)17(14,15)12(2)3/h4-5H,6H2,1-3H3,(H2,10,11,13).
What are the key properties of 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea?
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea has a molecular weight of 277.37 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea is sourced from PubChem (CID 47132005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).