3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine

C8H14N4O2S — CID 102694117

IUPAC3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine
SMILESCCC1(N)CN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C8H14N4O2S/c1-2-8(9)5-12(6-8)15(13,14)7-3-4-10-11-7/h3-4H,2,5-6,9H2,1H3,(H,10,11)
InChIKeyOPWNSICZKIRLMT-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.48
Rot. Bonds3

About 3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine

3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine (PubChem CID 102694117) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine.

Molecular Properties

Compound Name3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine
PubChem CID102694117
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine
SMILESCCC1(N)CN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C8H14N4O2S/c1-2-8(9)5-12(6-8)15(13,14)7-3-4-10-11-7/h3-4H,2,5-6,9H2,1H3,(H,10,11)
InChIKeyOPWNSICZKIRLMT-UHFFFAOYSA-N
XLogP-0.48
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine?
The IUPAC name of 3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine (CID 102694117) is 3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine.
What is the SMILES notation for 3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine?
The canonical SMILES for 3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine is CCC1(N)CN(S(=O)(=O)c2ccn[nH]2)C1.
What is the InChIKey of 3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine?
The InChIKey is OPWNSICZKIRLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-2-8(9)5-12(6-8)15(13,14)7-3-4-10-11-7/h3-4H,2,5-6,9H2,1H3,(H,10,11).
What are the key properties of 3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine?
3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine has a molecular weight of 230.29 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine is sourced from PubChem (CID 102694117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).