3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine

C13H20ClN3O3S — CID 64601076

IUPAC3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCOCC2CC)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-3-10-9-20-6-5-17(10)21(18,19)11-7-12(14)13(15-4-2)16-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyVGHMSEAGZNZELC-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.97
Rot. Bonds5

About 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine

3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine (PubChem CID 64601076) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine
PubChem CID64601076
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCOCC2CC)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-3-10-9-20-6-5-17(10)21(18,19)11-7-12(14)13(15-4-2)16-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyVGHMSEAGZNZELC-UHFFFAOYSA-N
XLogP1.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-morpholino-3-pyridinesulfonamide
CID 2738739
3-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 9280425
7-chloro-N-(3-methylbutan-2-yl)-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine
CID 135456758
7-Chloro-N-(3,3-dimethyl-2-butanyl)-4H-pyrido(2,3-E)(1,2,4)thiadiazin-3-amine 1,1-dioxide
CID 135494282
7-CHLORO-3-METHYL-4H-PYRIDO[2,3-e] [1,2,4]THIADIAZINE 1,1-DIOXIDE
CID 10633310
N,N-dimethyl-6-(4-morpholinyl)-3-pyridinesulfonamide
CID 829845
2-[(2-Methoxyethyl)amino]-5-(pyrrolidinylsulfonyl)pyridine
CID 2524141
7-Chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 25147766
7-Chloro-4-cyclopropyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 118719354
7-Chloro-4-methyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 44589242
7-chloro-4-ethyl-2-methyl-3H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 44589261
7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 46233674

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine (CID 64601076) is 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine is CCNc1ncc(S(=O)(=O)N2CCOCC2CC)cc1Cl.
What is the InChIKey of 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine?
The InChIKey is VGHMSEAGZNZELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-3-10-9-20-6-5-17(10)21(18,19)11-7-12(14)13(15-4-2)16-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine?
3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine has a molecular weight of 333.84 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 64601076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).