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

C10H19N3O2S — CID 165471755

IUPAC3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine
SMILESCC(C)(C)C(N)Cn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C10H19N3O2S/c1-10(2,3)9(11)7-13-6-8(5-12-13)16(4,14)15/h5-6,9H,7,11H2,1-4H3
InChIKeyMVFVHRVEHLKVFB-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.66
Rot. Bonds3

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

3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine (PubChem CID 165471755) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine
PubChem CID165471755
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine
SMILESCC(C)(C)C(N)Cn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C10H19N3O2S/c1-10(2,3)9(11)7-13-6-8(5-12-13)16(4,14)15/h5-6,9H,7,11H2,1-4H3
InChIKeyMVFVHRVEHLKVFB-UHFFFAOYSA-N
XLogP0.66
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine (CID 165471755) is 3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine is CC(C)(C)C(N)Cn1cc(S(C)(=O)=O)cn1.
What is the InChIKey of 3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine?
The InChIKey is MVFVHRVEHLKVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10(2,3)9(11)7-13-6-8(5-12-13)16(4,14)15/h5-6,9H,7,11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine?
3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine has a molecular weight of 245.35 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine is sourced from PubChem (CID 165471755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).