5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole

C9H19N5O2S — CID 125442226

IUPAC5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole
SMILESCC[C@@H](NS(=O)(=O)N(C)C)c1ncnn1CC
InChIInChI=1S/C9H19N5O2S/c1-5-8(12-17(15,16)13(3)4)9-10-7-11-14(9)6-2/h7-8,12H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyZTARONCBQHQRJX-MRVPVSSYSA-N
MW261.35 g/mol
LogP0.15
Rot. Bonds6

About 5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole

5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole (PubChem CID 125442226) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole
PubChem CID125442226
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole
SMILESCC[C@@H](NS(=O)(=O)N(C)C)c1ncnn1CC
InChIInChI=1S/C9H19N5O2S/c1-5-8(12-17(15,16)13(3)4)9-10-7-11-14(9)6-2/h7-8,12H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyZTARONCBQHQRJX-MRVPVSSYSA-N
XLogP0.15
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide
CID 125438278
5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole
CID 122562994
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide
CID 122562017
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 125440611
3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 125438329
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,4,4-trifluorobutanamide
CID 91796632
5-ethyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-methylpyrimidin-4-amine
CID 50978867
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide
CID 125437788
2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122560853
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide
CID 125448522
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 125435535
(E)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 125447530

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole?
The IUPAC name of 5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole (CID 125442226) is 5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole.
What is the SMILES notation for 5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole?
The canonical SMILES for 5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole is CC[C@@H](NS(=O)(=O)N(C)C)c1ncnn1CC.
What is the InChIKey of 5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole?
The InChIKey is ZTARONCBQHQRJX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-5-8(12-17(15,16)13(3)4)9-10-7-11-14(9)6-2/h7-8,12H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole?
5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole has a molecular weight of 261.35 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole is sourced from PubChem (CID 125442226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).