4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide

C14H17N3O3S — CID 130448243

IUPAC4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
SMILESCc1noc([C@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)n1
InChIInChI=1S/C14H17N3O3S/c1-8-16-13(20-17-8)12-11(14(12,2)3)9-4-6-10(7-5-9)21(15,18)19/h4-7,11-12H,1-3H3,(H2,15,18,19)/t11-,12+/m0/s1
InChIKeyYIHOGJUDBFWGMS-NWDGAFQWSA-N
MW307.38 g/mol
LogP1.93
Rot. Bonds3

About 4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide

4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide (PubChem CID 130448243) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
PubChem CID130448243
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
SMILESCc1noc([C@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)n1
InChIInChI=1S/C14H17N3O3S/c1-8-16-13(20-17-8)12-11(14(12,2)3)9-4-6-10(7-5-9)21(15,18)19/h4-7,11-12H,1-3H3,(H2,15,18,19)/t11-,12+/m0/s1
InChIKeyYIHOGJUDBFWGMS-NWDGAFQWSA-N
XLogP1.93
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S,3S)-2,2-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
CID 130448299
4-[(1R,3R)-2,2-dimethyl-3-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448492
4-[(1S,3S)-3-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448696
4-[(1R,3R)-3-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448161
4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448380
4-[(1S,3S)-2,2-dimethyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448218
4-[3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130455269
4-[(1R,3R)-3-[4-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448401
4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448310
4-[(1S,3S)-2,2-dichloro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
CID 130448259
4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448364
4-[3-[5-(2-cyclopropyl-1H-imidazol-5-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 137222703

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide (CID 130448243) is 4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide is Cc1noc([C@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)n1.
What is the InChIKey of 4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide?
The InChIKey is YIHOGJUDBFWGMS-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-16-13(20-17-8)12-11(14(12,2)3)9-4-6-10(7-5-9)21(15,18)19/h4-7,11-12H,1-3H3,(H2,15,18,19)/t11-,12+/m0/s1.
What are the key properties of 4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide?
4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).