N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine

C11H20N4O2S — CID 106730595

IUPACN-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
SMILESCC(C)S(=O)(=O)CCn1ncnc1CNC1CC1
InChIInChI=1S/C11H20N4O2S/c1-9(2)18(16,17)6-5-15-11(13-8-14-15)7-12-10-3-4-10/h8-10,12H,3-7H2,1-2H3
InChIKeyBZCSTEUXNAGZQG-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.35
Rot. Bonds7

About N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine

N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine (PubChem CID 106730595) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
PubChem CID106730595
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
SMILESCC(C)S(=O)(=O)CCn1ncnc1CNC1CC1
InChIInChI=1S/C11H20N4O2S/c1-9(2)18(16,17)6-5-15-11(13-8-14-15)7-12-10-3-4-10/h8-10,12H,3-7H2,1-2H3
InChIKeyBZCSTEUXNAGZQG-UHFFFAOYSA-N
XLogP0.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114123294
2-methyl-N-[[2-(2-propylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 106730602
N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 107447429
2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 86778919
3-chloro-2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 114631826
N-(2-propan-2-ylsulfonylethyl)cyclobutanamine
CID 106723621
N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80720030
N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441221
N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 106722555
1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine
CID 106723200
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114095941
N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447601

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine (CID 106730595) is N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine is CC(C)S(=O)(=O)CCn1ncnc1CNC1CC1.
What is the InChIKey of N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The InChIKey is BZCSTEUXNAGZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(2)18(16,17)6-5-15-11(13-8-14-15)7-12-10-3-4-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine has a molecular weight of 272.37 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106730595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).