2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide

C13H23N3O2S2 — CID 133496812

IUPAC2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCC1(CC)CN(c2nc(C(C)C)ns2)CCS1(=O)=O
InChIInChI=1S/C13H23N3O2S2/c1-5-13(6-2)9-16(7-8-20(13,17)18)12-14-11(10(3)4)15-19-12/h10H,5-9H2,1-4H3
InChIKeyQHIRQSDDAQDSPR-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.46
Rot. Bonds4

About 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide

2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 133496812) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID133496812
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCC1(CC)CN(c2nc(C(C)C)ns2)CCS1(=O)=O
InChIInChI=1S/C13H23N3O2S2/c1-5-13(6-2)9-16(7-8-20(13,17)18)12-14-11(10(3)4)15-19-12/h10H,5-9H2,1-4H3
InChIKeyQHIRQSDDAQDSPR-UHFFFAOYSA-N
XLogP2.46
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide
CID 133479366
N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine
CID 106321975
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-4-propylpiperidine-4-carboxylic acid
CID 65270420
3-chloro-5-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2-thiazole-4-carbonitrile
CID 133496820
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 75425181
5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 166600619
[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
CID 65272653
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
CID 65270156
1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976770
5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 95785318
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane
CID 75376958

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide (CID 133496812) is 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is CCC1(CC)CN(c2nc(C(C)C)ns2)CCS1(=O)=O.
What is the InChIKey of 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is QHIRQSDDAQDSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-5-13(6-2)9-16(7-8-20(13,17)18)12-14-11(10(3)4)15-19-12/h10H,5-9H2,1-4H3.
What are the key properties of 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide?
2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 317.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 133496812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).