N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine

C12H23N3O2S — CID 114198015

IUPACN,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCNC(c1ccnn1C(C)C)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H23N3O2S/c1-9(2)15-10(7-8-14-15)11(13-5)12(3,4)18(6,16)17/h7-9,11,13H,1-6H3
InChIKeyULVGEJXBRVHKKR-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.55
Rot. Bonds5

About N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine

N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine (PubChem CID 114198015) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
PubChem CID114198015
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCNC(c1ccnn1C(C)C)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H23N3O2S/c1-9(2)15-10(7-8-14-15)11(13-5)12(3,4)18(6,16)17/h7-9,11,13H,1-6H3
InChIKeyULVGEJXBRVHKKR-UHFFFAOYSA-N
XLogP1.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methylprop-2-enylsulfonyl)-4-(2-methylpyrazol-3-yl)piperidine
CID 121533924
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CID 128776304
(3S)-1-ethylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine
CID 129523917
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine
CID 164639098
2-methyl-N-[2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethyl]propane-2-sulfinamide
CID 146326508
1-(2-methylpyrazol-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 107093565
2-ethyl-4,4,4-trifluoro-N-[1-(1-methylpyrazol-3-yl)ethyl]butane-1-sulfonamide
CID 138046947
2-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethane-1-sulfonyl fluoride
CID 165671291
3,3-difluoro-2,2-dimethyl-N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]butane-1-sulfonamide
CID 166272537
(E)-6-methyl-1-(2-methylpyrazol-3-yl)-N-propan-2-ylhept-3-en-1-amine
CID 68079371
(E)-N,6-dimethyl-1-(2-methylpyrazol-3-yl)hept-3-en-1-amine
CID 68097482
(1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine
CID 68653226

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine (CID 114198015) is N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine is CNC(c1ccnn1C(C)C)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
The InChIKey is ULVGEJXBRVHKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-9(2)15-10(7-8-14-15)11(13-5)12(3,4)18(6,16)17/h7-9,11,13H,1-6H3.
What are the key properties of N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine?
N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-methylsulfonyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 114198015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).