3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine

C10H20N4O2S — CID 106220819

IUPAC3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine
SMILESCC(C)S(=O)(=O)CCn1cc(CCCN)nn1
InChIInChI=1S/C10H20N4O2S/c1-9(2)17(15,16)7-6-14-8-10(12-13-14)4-3-5-11/h8-9H,3-7,11H2,1-2H3
InChIKeyISLLACABRAOPSD-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.01
Rot. Bonds7

About 3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine

3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine (PubChem CID 106220819) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine
PubChem CID106220819
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine
SMILESCC(C)S(=O)(=O)CCn1cc(CCCN)nn1
InChIInChI=1S/C10H20N4O2S/c1-9(2)17(15,16)7-6-14-8-10(12-13-14)4-3-5-11/h8-9H,3-7,11H2,1-2H3
InChIKeyISLLACABRAOPSD-UHFFFAOYSA-N
XLogP-0.01
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220688
4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
CID 113424701
N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine
CID 106734742
3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide
CID 106221658
3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
CID 106221129
3-[4-(3-aminopropyl)triazol-1-yl]-2-methylpropanamide
CID 106221461
2-[4-(4-aminobutyl)triazol-1-yl]-N-propan-2-ylacetamide
CID 106209238
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 106220994
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine
CID 106729373
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine (CID 106220819) is 3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine is CC(C)S(=O)(=O)CCn1cc(CCCN)nn1.
What is the InChIKey of 3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine?
The InChIKey is ISLLACABRAOPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-9(2)17(15,16)7-6-14-8-10(12-13-14)4-3-5-11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine?
3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine has a molecular weight of 260.36 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106220819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).