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

C11H21N5O3S — CID 86922813

IUPAC4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
SMILESCC(C)c1noc(C(C)N2CCN(S(N)(=O)=O)CC2)n1
InChIInChI=1S/C11H21N5O3S/c1-8(2)10-13-11(19-14-10)9(3)15-4-6-16(7-5-15)20(12,17)18/h8-9H,4-7H2,1-3H3,(H2,12,17,18)
InChIKeyYUYMZZTVQGTDJU-UHFFFAOYSA-N
MW303.39 g/mol
LogP0.08
Rot. Bonds4

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

4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide (PubChem CID 86922813) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
PubChem CID86922813
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
SMILESCC(C)c1noc(C(C)N2CCN(S(N)(=O)=O)CC2)n1
InChIInChI=1S/C11H21N5O3S/c1-8(2)10-13-11(19-14-10)9(3)15-4-6-16(7-5-15)20(12,17)18/h8-9H,4-7H2,1-3H3,(H2,12,17,18)
InChIKeyYUYMZZTVQGTDJU-UHFFFAOYSA-N
XLogP0.08
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 30741315
4-methyl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
CID 164637388
(3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one
CID 95280047
1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 95278614
3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 35017329
3-propan-2-yl-5-[1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 43061960
5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94797739
5-[(1S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 51931920
furan-3-yl-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 134007167
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine
CID 94412485

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide (CID 86922813) is 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide is CC(C)c1noc(C(C)N2CCN(S(N)(=O)=O)CC2)n1.
What is the InChIKey of 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide?
The InChIKey is YUYMZZTVQGTDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-8(2)10-13-11(19-14-10)9(3)15-4-6-16(7-5-15)20(12,17)18/h8-9H,4-7H2,1-3H3,(H2,12,17,18).
What are the key properties of 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide?
4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide has a molecular weight of 303.39 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 86922813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).