5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

C14H25N5O4S — CID 126796885

IUPAC5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCCN(CC)S(=O)(=O)NC1CCCCN(Cc2nc(C)no2)C1=O
InChIInChI=1S/C14H25N5O4S/c1-4-19(5-2)24(21,22)17-12-8-6-7-9-18(14(12)20)10-13-15-11(3)16-23-13/h12,17H,4-10H2,1-3H3
InChIKeyMPUJOTJJETVBKX-UHFFFAOYSA-N
MW359.45 g/mol
LogP0.44
Rot. Bonds7

About 5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 126796885) has the molecular formula C14H25N5O4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID126796885
Molecular FormulaC14H25N5O4S
Molecular Weight359.45 g/mol
Exact Mass359.16
IUPAC Name5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCCN(CC)S(=O)(=O)NC1CCCCN(Cc2nc(C)no2)C1=O
InChIInChI=1S/C14H25N5O4S/c1-4-19(5-2)24(21,22)17-12-8-6-7-9-18(14(12)20)10-13-15-11(3)16-23-13/h12,17H,4-10H2,1-3H3
InChIKeyMPUJOTJJETVBKX-UHFFFAOYSA-N
XLogP0.44
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 126796885) is 5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is CCN(CC)S(=O)(=O)NC1CCCCN(Cc2nc(C)no2)C1=O.
What is the InChIKey of 5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is MPUJOTJJETVBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O4S/c1-4-19(5-2)24(21,22)17-12-8-6-7-9-18(14(12)20)10-13-15-11(3)16-23-13/h12,17H,4-10H2,1-3H3.
What are the key properties of 5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 359.45 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126796885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).