(2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide

C16H22N4O3S — CID 97344897

IUPAC(2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O3S/c1-19(2)24(21,22)20-12-8-4-7-11-14(20)15-17-16(23-18-15)13-9-5-3-6-10-13/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyDODLOPLQTIVJJG-AWEZNQCLSA-N
MW350.44 g/mol
LogP2.46
Rot. Bonds4

About (2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide

(2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide (PubChem CID 97344897) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
PubChem CID97344897
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name(2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O3S/c1-19(2)24(21,22)20-12-8-4-7-11-14(20)15-17-16(23-18-15)13-9-5-3-6-10-13/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyDODLOPLQTIVJJG-AWEZNQCLSA-N
XLogP2.46
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
CID 75474761
(2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide
CID 124605898
1-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-2-propylsulfonylethanone
CID 97345557
3-[(2S)-1-(benzenesulfonyl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 97344881
2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 75474712
(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 97344792
N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide
CID 75474704
1-methyl-5-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyrrole-3-carboxamide
CID 167859394
(2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 97055840
1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 97345599
6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide
CID 97345604
1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916927

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide?
The IUPAC name of (2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide (CID 97344897) is (2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide is CN(C)S(=O)(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1.
What is the InChIKey of (2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide?
The InChIKey is DODLOPLQTIVJJG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-19(2)24(21,22)20-12-8-4-7-11-14(20)15-17-16(23-18-15)13-9-5-3-6-10-13/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide?
(2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide has a molecular weight of 350.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide is sourced from PubChem (CID 97344897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).