N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

C12H24N4O2S — CID 65197434

IUPACN-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCc1nn(C)cc1C(C)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C12H24N4O2S/c1-9(11-7-16(5)14-10(11)2)13-8-12(3,4)15-19(6,17)18/h7,9,13,15H,8H2,1-6H3
InChIKeyDRPZUAQGEBUXGY-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.71
Rot. Bonds6

About N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 65197434) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID65197434
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCc1nn(C)cc1C(C)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C12H24N4O2S/c1-9(11-7-16(5)14-10(11)2)13-8-12(3,4)15-19(6,17)18/h7,9,13,15H,8H2,1-6H3
InChIKeyDRPZUAQGEBUXGY-UHFFFAOYSA-N
XLogP0.71
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 65197434) is N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is Cc1nn(C)cc1C(C)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is DRPZUAQGEBUXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-9(11-7-16(5)14-10(11)2)13-8-12(3,4)15-19(6,17)18/h7,9,13,15H,8H2,1-6H3.
What are the key properties of N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 65197434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).