2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine

C10H17N3O2S — CID 105148582

IUPAC2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1C(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N3O2S/c1-13-10(2-4-12-13)9(11)6-8-3-5-16(14,15)7-8/h2,4,8-9H,3,5-7,11H2,1H3
InChIKeyVEKQUCNLVVFZMW-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.24
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine

2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 105148582) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID105148582
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1C(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N3O2S/c1-13-10(2-4-12-13)9(11)6-8-3-5-16(14,15)7-8/h2,4,8-9H,3,5-7,11H2,1H3
InChIKeyVEKQUCNLVVFZMW-UHFFFAOYSA-N
XLogP0.24
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105307419
2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 105186241
2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 105164207
2-(1,1-dioxothiolan-3-yl)-1-(3-ethyltriazol-4-yl)ethanamine
CID 114213581
2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 105144795
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115336746
2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 114225872
1-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167008
2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105178630
1-(2,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethanamine
CID 105120200
2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine
CID 105172342

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine (CID 105148582) is 2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine is Cn1nccc1C(N)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is VEKQUCNLVVFZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13-10(2-4-12-13)9(11)6-8-3-5-16(14,15)7-8/h2,4,8-9H,3,5-7,11H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine?
2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 243.33 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105148582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).