3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine

C10H19N3O2S — CID 81202382

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine
SMILESCc1cc(CS(=O)(=O)CC(C)CN)n(C)n1
InChIInChI=1S/C10H19N3O2S/c1-8(5-11)6-16(14,15)7-10-4-9(2)12-13(10)3/h4,8H,5-7,11H2,1-3H3
InChIKeyQTOHHMFPABWKEJ-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.24
Rot. Bonds5

About 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine

3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine (PubChem CID 81202382) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine
PubChem CID81202382
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine
SMILESCc1cc(CS(=O)(=O)CC(C)CN)n(C)n1
InChIInChI=1S/C10H19N3O2S/c1-8(5-11)6-16(14,15)7-10-4-9(2)12-13(10)3/h4,8H,5-7,11H2,1-3H3
InChIKeyQTOHHMFPABWKEJ-UHFFFAOYSA-N
XLogP0.24
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropanoate
CID 66114257
2-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]acetic acid
CID 25248548
2-[(2,5-dimethylpyrazol-3-yl)methylsulfinyl]propan-1-amine
CID 81188172
N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine
CID 103569049
3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]aniline
CID 81180741
3-[(3,4-dimethylphenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81197359
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
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CID 131005414

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine (CID 81202382) is 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine is Cc1cc(CS(=O)(=O)CC(C)CN)n(C)n1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine?
The InChIKey is QTOHHMFPABWKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(5-11)6-16(14,15)7-10-4-9(2)12-13(10)3/h4,8H,5-7,11H2,1-3H3.
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine?
3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine has a molecular weight of 245.35 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81202382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).