N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine

C11H17N3O3S2 — CID 55043507

IUPACN-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
SMILESCCNc1cc(S(=O)(=O)N2CCS(=O)CC2)ccn1
InChIInChI=1S/C11H17N3O3S2/c1-2-12-11-9-10(3-4-13-11)19(16,17)14-5-7-18(15)8-6-14/h3-4,9H,2,5-8H2,1H3,(H,12,13)
InChIKeyUWLSPIRULNLYSA-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.27
Rot. Bonds4

About N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine

N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine (PubChem CID 55043507) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
PubChem CID55043507
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC NameN-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
SMILESCCNc1cc(S(=O)(=O)N2CCS(=O)CC2)ccn1
InChIInChI=1S/C11H17N3O3S2/c1-2-12-11-9-10(3-4-13-11)19(16,17)14-5-7-18(15)8-6-14/h3-4,9H,2,5-8H2,1H3,(H,12,13)
InChIKeyUWLSPIRULNLYSA-UHFFFAOYSA-N
XLogP0.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-cyclopropylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62152286
N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152799
4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 113228640
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471583
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
CID 79933811
[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
CID 62164530
N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
CID 62151680
N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148755
[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789194
N,N-diethyl-2-(ethylamino)pyridine-4-sulfonamide
CID 62150008

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine?
The IUPAC name of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine (CID 55043507) is N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine is CCNc1cc(S(=O)(=O)N2CCS(=O)CC2)ccn1.
What is the InChIKey of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine?
The InChIKey is UWLSPIRULNLYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-2-12-11-9-10(3-4-13-11)19(16,17)14-5-7-18(15)8-6-14/h3-4,9H,2,5-8H2,1H3,(H,12,13).
What are the key properties of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine?
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine has a molecular weight of 303.41 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine is sourced from PubChem (CID 55043507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).