N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

C7H13N3O2S2 — CID 47464779

IUPACN-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C7H13N3O2S2/c1-9(2)14(11,12)10(3)4-7-5-13-6-8-7/h5-6H,4H2,1-3H3
InChIKeyDQODNSPGGPHAKF-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.38
Rot. Bonds4

About N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 47464779) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
PubChem CID47464779
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC NameN-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C7H13N3O2S2/c1-9(2)14(11,12)10(3)4-7-5-13-6-8-7/h5-6H,4H2,1-3H3
InChIKeyDQODNSPGGPHAKF-UHFFFAOYSA-N
XLogP0.38
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine (CID 47464779) is N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine is CN(C)S(=O)(=O)N(C)Cc1cscn1.
What is the InChIKey of N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is DQODNSPGGPHAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-9(2)14(11,12)10(3)4-7-5-13-6-8-7/h5-6H,4H2,1-3H3.
What are the key properties of N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 235.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 47464779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).