4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide

C10H13ClN2O2S — CID 61256629

IUPAC4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccc(CCl)cn2)CC1
InChIInChI=1S/C10H13ClN2O2S/c11-7-9-1-2-10(12-8-9)13-3-5-16(14,15)6-4-13/h1-2,8H,3-7H2
InChIKeyWDCREGRHEPKTHZ-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.06
Rot. Bonds2

About 4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide

4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 61256629) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
PubChem CID61256629
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccc(CCl)cn2)CC1
InChIInChI=1S/C10H13ClN2O2S/c11-7-9-1-2-10(12-8-9)13-3-5-16(14,15)6-4-13/h1-2,8H,3-7H2
InChIKeyWDCREGRHEPKTHZ-UHFFFAOYSA-N
XLogP1.06
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 114920871
1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
CID 61256997
1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propan-1-one
CID 166604192
5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine
CID 62206468
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
CID 61257198
4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 62255196
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 56597241
5-(chloromethyl)-2-(3-ethyl-3-methylazetidin-1-yl)pyridine
CID 131025881
5-(chloromethyl)-2-pyrrol-1-ylpyridine
CID 130153324

Frequently Asked Questions

What is the IUPAC name of 4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (CID 61256629) is 4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2ccc(CCl)cn2)CC1.
What is the InChIKey of 4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is WDCREGRHEPKTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-7-9-1-2-10(12-8-9)13-3-5-16(14,15)6-4-13/h1-2,8H,3-7H2.
What are the key properties of 4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 260.75 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 61256629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).