N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine

C12H24N4O2S — CID 131900433

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
SMILESCCn1ncc(CN(C)S(=O)(=O)N(C)C(C)C)c1C
InChIInChI=1S/C12H24N4O2S/c1-7-16-11(4)12(8-13-16)9-14(5)19(17,18)15(6)10(2)3/h8,10H,7,9H2,1-6H3
InChIKeyOLBNOKYLRHJHAR-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.23
Rot. Bonds6

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine (PubChem CID 131900433) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
PubChem CID131900433
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
SMILESCCn1ncc(CN(C)S(=O)(=O)N(C)C(C)C)c1C
InChIInChI=1S/C12H24N4O2S/c1-7-16-11(4)12(8-13-16)9-14(5)19(17,18)15(6)10(2)3/h8,10H,7,9H2,1-6H3
InChIKeyOLBNOKYLRHJHAR-UHFFFAOYSA-N
XLogP1.23
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine (CID 131900433) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine is CCn1ncc(CN(C)S(=O)(=O)N(C)C(C)C)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine?
The InChIKey is OLBNOKYLRHJHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-7-16-11(4)12(8-13-16)9-14(5)19(17,18)15(6)10(2)3/h8,10H,7,9H2,1-6H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine has a molecular weight of 288.42 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine is sourced from PubChem (CID 131900433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).