3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine

C11H21N3O2S — CID 165478114

IUPAC3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine
SMILESCC(C)(C)C(CN)Cn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C11H21N3O2S/c1-11(2,3)9(5-12)7-14-8-10(6-13-14)17(4,15)16/h6,8-9H,5,7,12H2,1-4H3
InChIKeyDVZQIJIPZHGBTE-UHFFFAOYSA-N
MW259.38 g/mol
LogP0.91
Rot. Bonds4

About 3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine

3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine (PubChem CID 165478114) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine
PubChem CID165478114
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC Name3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine
SMILESCC(C)(C)C(CN)Cn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C11H21N3O2S/c1-11(2,3)9(5-12)7-14-8-10(6-13-14)17(4,15)16/h6,8-9H,5,7,12H2,1-4H3
InChIKeyDVZQIJIPZHGBTE-UHFFFAOYSA-N
XLogP0.91
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylsulfonylpyrazole
CID 165480416
3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine
CID 165471755
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
CID 165473094
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165480243
1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine
CID 165471759
2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine
CID 165472927
N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 120709265
4-methylsulfonyl-1-[(4-methylsulfonylphenyl)methyl]pyrazole
CID 154786420
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165478113
2-(4-methylsulfonylpyrazol-1-yl)pentan-1-amine
CID 165477577

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine (CID 165478114) is 3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine is CC(C)(C)C(CN)Cn1cc(S(C)(=O)=O)cn1.
What is the InChIKey of 3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine?
The InChIKey is DVZQIJIPZHGBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-11(2,3)9(5-12)7-14-8-10(6-13-14)17(4,15)16/h6,8-9H,5,7,12H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine?
3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine has a molecular weight of 259.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 165478114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).