N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

C13H26N4O2S — CID 63858908

IUPACN-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1cnn(C(C)(C)C)c1)NS(C)(=O)=O
InChIInChI=1S/C13H26N4O2S/c1-12(2,3)17-9-11(8-15-17)7-14-10-13(4,5)16-20(6,18)19/h8-9,14,16H,7,10H2,1-6H3
InChIKeyUYFHVBUGGYWXIG-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.06
Rot. Bonds6

About N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63858908) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63858908
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC NameN-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1cnn(C(C)(C)C)c1)NS(C)(=O)=O
InChIInChI=1S/C13H26N4O2S/c1-12(2,3)17-9-11(8-15-17)7-14-10-13(4,5)16-20(6,18)19/h8-9,14,16H,7,10H2,1-6H3
InChIKeyUYFHVBUGGYWXIG-UHFFFAOYSA-N
XLogP1.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 63858908) is N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCc1cnn(C(C)(C)C)c1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is UYFHVBUGGYWXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-12(2,3)17-9-11(8-15-17)7-14-10-13(4,5)16-20(6,18)19/h8-9,14,16H,7,10H2,1-6H3.
What are the key properties of N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63858908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).