N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide

C10H18N4O2S — CID 125438278

IUPACN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide
SMILESCC[C@H](NS(=O)(=O)C1CC1)c1ncnn1CC
InChIInChI=1S/C10H18N4O2S/c1-3-9(10-11-7-12-14(10)4-2)13-17(15,16)8-5-6-8/h7-9,13H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyYNQJYGNHOZUXRK-VIFPVBQESA-N
MW258.35 g/mol
LogP0.83
Rot. Bonds6

About N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide (PubChem CID 125438278) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide
PubChem CID125438278
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide
SMILESCC[C@H](NS(=O)(=O)C1CC1)c1ncnn1CC
InChIInChI=1S/C10H18N4O2S/c1-3-9(10-11-7-12-14(10)4-2)13-17(15,16)8-5-6-8/h7-9,13H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyYNQJYGNHOZUXRK-VIFPVBQESA-N
XLogP0.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide (CID 125438278) is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide is CC[C@H](NS(=O)(=O)C1CC1)c1ncnn1CC.
What is the InChIKey of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide?
The InChIKey is YNQJYGNHOZUXRK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-9(10-11-7-12-14(10)4-2)13-17(15,16)8-5-6-8/h7-9,13H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide?
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanesulfonamide is sourced from PubChem (CID 125438278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).