N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

C12H24N4O2S — CID 63859460

IUPACN-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCn1cc(C(C)NCC(C)(C)NS(C)(=O)=O)cn1
InChIInChI=1S/C12H24N4O2S/c1-6-16-8-11(7-14-16)10(2)13-9-12(3,4)15-19(5,17)18/h7-8,10,13,15H,6,9H2,1-5H3
InChIKeyNABBWPMRFFZBKH-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.88
Rot. Bonds7

About N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859460) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859460
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCn1cc(C(C)NCC(C)(C)NS(C)(=O)=O)cn1
InChIInChI=1S/C12H24N4O2S/c1-6-16-8-11(7-14-16)10(2)13-9-12(3,4)15-19(5,17)18/h7-8,10,13,15H,6,9H2,1-5H3
InChIKeyNABBWPMRFFZBKH-UHFFFAOYSA-N
XLogP0.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115725978
tert-butyl N-[3-[1-(1-ethylpyrazol-4-yl)ethylamino]-2,2-difluoropropyl]carbamate
CID 104955560
N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712805
N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859656
1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 113261870
N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 65197434
N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide
CID 64831171
3-cyclopropyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890826
N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858734
N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
CID 63865129
(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine
CID 164632644
1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
CID 115601039

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 63859460) is N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is CCn1cc(C(C)NCC(C)(C)NS(C)(=O)=O)cn1.
What is the InChIKey of N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is NABBWPMRFFZBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-6-16-8-11(7-14-16)10(2)13-9-12(3,4)15-19(5,17)18/h7-8,10,13,15H,6,9H2,1-5H3.
What are the key properties of N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).