N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine

C8H16N4O2S — CID 65360783

IUPACN-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1ncn[nH]1
InChIInChI=1S/C8H16N4O2S/c1-3-9-7(4-5-15(2,13)14)8-10-6-11-12-8/h6-7,9H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyZECAWQZBNDREMB-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.11
Rot. Bonds6

About N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine

N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 65360783) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
PubChem CID65360783
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1ncn[nH]1
InChIInChI=1S/C8H16N4O2S/c1-3-9-7(4-5-15(2,13)14)8-10-6-11-12-8/h6-7,9H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyZECAWQZBNDREMB-UHFFFAOYSA-N
XLogP-0.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine
CID 65360398
3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 65362596
N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984281
2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 103827821
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
CID 115530771
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine
CID 79780243
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 65360079
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719
N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine
CID 115848432
N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
CID 114984120
3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 65360457
N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923316

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine (CID 65360783) is N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine is CCNC(CCS(C)(=O)=O)c1ncn[nH]1.
What is the InChIKey of N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The InChIKey is ZECAWQZBNDREMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-3-9-7(4-5-15(2,13)14)8-10-6-11-12-8/h6-7,9H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 232.31 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 65360783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).