2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide

C7H10ClN3O2S2 — CID 130921178

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1Cc1nnsc1Cl
InChIInChI=1S/C7H10ClN3O2S2/c8-7-6(9-10-14-7)5-11-3-1-2-4-15(11,12)13/h1-5H2
InChIKeyFDSUDJAZQPJDPV-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.12
Rot. Bonds2

About 2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide

2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide (PubChem CID 130921178) has the molecular formula C7H10ClN3O2S2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide
PubChem CID130921178
Molecular FormulaC7H10ClN3O2S2
Molecular Weight267.76 g/mol
Exact Mass266.99
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1Cc1nnsc1Cl
InChIInChI=1S/C7H10ClN3O2S2/c8-7-6(9-10-14-7)5-11-3-1-2-4-15(11,12)13/h1-5H2
InChIKeyFDSUDJAZQPJDPV-UHFFFAOYSA-N
XLogP1.12
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine
CID 55045006
2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
CID 134095007
5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole
CID 43409300
4-[(1,1-dioxothiazinan-2-yl)methyl]aniline
CID 83824828
[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide
CID 146121289
1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979102
2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide
CID 94698244
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole
CID 112734077
1-[(2R)-2-[(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95336277
5-chloro-4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]thiadiazole
CID 113237768
2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 79255737
5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole
CID 43408566

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide (CID 130921178) is 2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide is O=S1(=O)CCCCN1Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide?
The InChIKey is FDSUDJAZQPJDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S2/c8-7-6(9-10-14-7)5-11-3-1-2-4-15(11,12)13/h1-5H2.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide?
2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide has a molecular weight of 267.76 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 130921178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).