4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide

C10H13BrN2O2S — CID 58335258

IUPAC4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2cccc(Br)n2)CC1
InChIInChI=1S/C10H13BrN2O2S/c11-10-3-1-2-9(12-10)8-13-4-6-16(14,15)7-5-13/h1-3H,4-8H2
InChIKeyBIRIODPLODUCPW-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.07
Rot. Bonds2

About 4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58335258) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58335258
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2cccc(Br)n2)CC1
InChIInChI=1S/C10H13BrN2O2S/c11-10-3-1-2-9(12-10)8-13-4-6-16(14,15)7-5-13/h1-3H,4-8H2
InChIKeyBIRIODPLODUCPW-UHFFFAOYSA-N
XLogP1.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine
CID 106905922
6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 79243530
1-[(6-bromo-2-pyridinyl)methyl]azetidin-3-ol
CID 130604174
2-(6-bromo-2-pyridinyl)-1-(1,1-dioxothian-4-yl)ethanol
CID 59525637
2-[4-[(6-bromo-2-pyridinyl)methyl]-7-(carboxymethyl)-10-[[hydroxy(methyl)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 138673585
(2S)-4-[(6-bromo-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylic acid
CID 87614140
2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 126985647
(2S)-4-[(6-bromo-2-pyridinyl)methyl]-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 87269628
4-[6-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 62255196
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol
CID 62254620
4-[(3-phenylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 75470875
[6-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437203

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 58335258) is 4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2cccc(Br)n2)CC1.
What is the InChIKey of 4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is BIRIODPLODUCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c11-10-3-1-2-9(12-10)8-13-4-6-16(14,15)7-5-13/h1-3H,4-8H2.
What are the key properties of 4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 305.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58335258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).