4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide

C14H22N2O5S2 — CID 167775088

IUPAC4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1cc(S(=O)(=O)N2CCS(=O)(=O)CC2C2CC2)on1
InChIInChI=1S/C14H22N2O5S2/c1-14(2,3)12-8-13(21-15-12)23(19,20)16-6-7-22(17,18)9-11(16)10-4-5-10/h8,10-11H,4-7,9H2,1-3H3
InChIKeyFXJXADZXPDBNIU-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.17
Rot. Bonds3

About 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide

4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide (PubChem CID 167775088) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide
PubChem CID167775088
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC Name4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1cc(S(=O)(=O)N2CCS(=O)(=O)CC2C2CC2)on1
InChIInChI=1S/C14H22N2O5S2/c1-14(2,3)12-8-13(21-15-12)23(19,20)16-6-7-22(17,18)9-11(16)10-4-5-10/h8,10-11H,4-7,9H2,1-3H3
InChIKeyFXJXADZXPDBNIU-UHFFFAOYSA-N
XLogP1.17
TPSA97.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide 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

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxamide
CID 67953320
3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide
CID 166308849
4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 91029877
4-(5-methylfuran-2-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide
CID 167791329
3-(3,5-ditert-butylpyrazol-1-yl)thiolane 1,1-dioxide
CID 43531676
4-(3-methylphenyl)sulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 110290131
4-(3,4-dimethylphenyl)sulfonyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 110290104
3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide
CID 166337312
3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide
CID 166328771
1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716862
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide
CID 71785452
3-tert-butyl-5-piperazin-1-yl-1,2-oxazole
CID 116825944

Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide (CID 167775088) is 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide is CC(C)(C)c1cc(S(=O)(=O)N2CCS(=O)(=O)CC2C2CC2)on1.
What is the InChIKey of 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is FXJXADZXPDBNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-14(2,3)12-8-13(21-15-12)23(19,20)16-6-7-22(17,18)9-11(16)10-4-5-10/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide?
4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 362.47 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 167775088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).