N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline

C13H17N3O2S2 — CID 71984679

IUPACN-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCCN(C)S(=O)(=O)N(Cc1cscn1)c1ccccc1
InChIInChI=1S/C13H17N3O2S2/c1-3-15(2)20(17,18)16(9-12-10-19-11-14-12)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3
InChIKeyCAAUEANQJDINTM-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.35
Rot. Bonds6

About N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline

N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 71984679) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID71984679
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCCN(C)S(=O)(=O)N(Cc1cscn1)c1ccccc1
InChIInChI=1S/C13H17N3O2S2/c1-3-15(2)20(17,18)16(9-12-10-19-11-14-12)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3
InChIKeyCAAUEANQJDINTM-UHFFFAOYSA-N
XLogP2.35
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline (CID 71984679) is N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline is CCN(C)S(=O)(=O)N(Cc1cscn1)c1ccccc1.
What is the InChIKey of N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is CAAUEANQJDINTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-3-15(2)20(17,18)16(9-12-10-19-11-14-12)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline?
N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 311.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(methyl)sulfamoyl]-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 71984679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).