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

C11H22N4O2S — CID 106734742

IUPACN-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCS(=O)(=O)C(C)C)nn1
InChIInChI=1S/C11H22N4O2S/c1-9(2)12-7-11-8-15(14-13-11)5-6-18(16,17)10(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeySSBVKGFIDDKSOH-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.60
Rot. Bonds7

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

N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 106734742) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID106734742
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCS(=O)(=O)C(C)C)nn1
InChIInChI=1S/C11H22N4O2S/c1-9(2)12-7-11-8-15(14-13-11)5-6-18(16,17)10(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeySSBVKGFIDDKSOH-UHFFFAOYSA-N
XLogP0.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220819
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569
N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66192005
N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66192988
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 116628018
N,N,N'-trimethyl-N'-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]ethane-1,2-diamine
CID 63727022
N-[[1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 55074277
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194550
N-methyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]pentan-2-amine
CID 55074863
N-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 55076942
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine
CID 62423750
N-[[1-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62432380

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine (CID 106734742) is N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCS(=O)(=O)C(C)C)nn1.
What is the InChIKey of N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is SSBVKGFIDDKSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-9(2)12-7-11-8-15(14-13-11)5-6-18(16,17)10(3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine?
N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 274.39 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106734742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).