4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide

C12H23N5O3S — CID 164637388

IUPAC4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
SMILESCC(C)c1noc([C@H](C)NS(=O)(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C12H23N5O3S/c1-9(2)11-13-12(20-14-11)10(3)15-21(18,19)17-7-5-16(4)6-8-17/h9-10,15H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyYQEFICXYCFIEAK-JTQLQIEISA-N
MW317.42 g/mol
LogP0.34
Rot. Bonds5

About 4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide

4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide (PubChem CID 164637388) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
PubChem CID164637388
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC Name4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
SMILESCC(C)c1noc([C@H](C)NS(=O)(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C12H23N5O3S/c1-9(2)11-13-12(20-14-11)10(3)15-21(18,19)17-7-5-16(4)6-8-17/h9-10,15H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyYQEFICXYCFIEAK-JTQLQIEISA-N
XLogP0.34
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide with MolForge

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Related Compounds

1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43109733
3-Ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 42946511
3-Ethyl-5-[1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 42950776
3-Ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 47022418
3-Ethyl-5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 53525886
3-Tert-butyl-5-[[3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53587656
3-(2-Methylpropyl)-5-[[3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53592422
3-(3-Methylbutyl)-5-[[3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53606961
N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 71872694
1-((3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)piperazine dihydrochloride
CID 43810461

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of 4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide (CID 164637388) is 4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide is CC(C)c1noc([C@H](C)NS(=O)(=O)N2CCN(C)CC2)n1.
What is the InChIKey of 4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide?
The InChIKey is YQEFICXYCFIEAK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-9(2)11-13-12(20-14-11)10(3)15-21(18,19)17-7-5-16(4)6-8-17/h9-10,15H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide?
4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide has a molecular weight of 317.42 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 164637388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).