4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide

C14H17N3O2S — CID 2738459

IUPAC4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C14H17N3O2S/c18-20(19)10-8-16(9-11-20)12-13-2-4-14(5-3-13)17-7-1-6-15-17/h1-7H,8-12H2
InChIKeyVWZMTSCPGOSPAW-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.10
Rot. Bonds3

About 4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 2738459) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID2738459
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C14H17N3O2S/c18-20(19)10-8-16(9-11-20)12-13-2-4-14(5-3-13)17-7-1-6-15-17/h1-7H,8-12H2
InChIKeyVWZMTSCPGOSPAW-UHFFFAOYSA-N
XLogP1.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
4-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 168512730
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-4-amine
CID 43778672
1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 17496707
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 77087015
2-[1-[(4-pyrazol-1-ylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116683944
4,14-dibenzyl-1,1-dioxo-1λ6-thia-4,7,11,14-tetrazacyclohexadecane-8,10-dione
CID 10929024
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 129484487
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 133127360

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 2738459) is 4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of 4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is VWZMTSCPGOSPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-20(19)10-8-16(9-11-20)12-13-2-4-14(5-3-13)17-7-1-6-15-17/h1-7H,8-12H2.
What are the key properties of 4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 291.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 2738459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).