3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine

C10H14ClN3O4S2 — CID 64602625

IUPAC3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1Cl
InChIInChI=1S/C10H14ClN3O4S2/c1-12-10-9(11)6-8(7-13-10)20(17,18)14-2-4-19(15,16)5-3-14/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyZJQPWGIHQMEBLY-UHFFFAOYSA-N
MW339.83 g/mol
LogP0.20
Rot. Bonds3

About 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine

3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine (PubChem CID 64602625) has the molecular formula C10H14ClN3O4S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine
PubChem CID64602625
Molecular FormulaC10H14ClN3O4S2
Molecular Weight339.83 g/mol
Exact Mass339.01
IUPAC Name3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1Cl
InChIInChI=1S/C10H14ClN3O4S2/c1-12-10-9(11)6-8(7-13-10)20(17,18)14-2-4-19(15,16)5-3-14/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyZJQPWGIHQMEBLY-UHFFFAOYSA-N
XLogP0.20
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine (CID 64602625) is 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine is CNc1ncc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1Cl.
What is the InChIKey of 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine?
The InChIKey is ZJQPWGIHQMEBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S2/c1-12-10-9(11)6-8(7-13-10)20(17,18)14-2-4-19(15,16)5-3-14/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine?
3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine has a molecular weight of 339.83 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 64602625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).