N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide

C11H18Cl2N4O2S — CID 106332346

IUPACN-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide
SMILESCCNc1nc(NCCCNS(C)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C11H18Cl2N4O2S/c1-3-14-10-8(12)7-9(13)11(17-10)15-5-4-6-16-20(2,18)19/h7,16H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyWRQVXWXUKGRNBV-UHFFFAOYSA-N
MW341.26 g/mol
LogP2.17
Rot. Bonds8

About N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide

N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide (PubChem CID 106332346) has the molecular formula C11H18Cl2N4O2S and a molecular weight of 341.26 g/mol. Its IUPAC name is N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide
PubChem CID106332346
Molecular FormulaC11H18Cl2N4O2S
Molecular Weight341.26 g/mol
Exact Mass340.05
IUPAC NameN-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide
SMILESCCNc1nc(NCCCNS(C)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C11H18Cl2N4O2S/c1-3-14-10-8(12)7-9(13)11(17-10)15-5-4-6-16-20(2,18)19/h7,16H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyWRQVXWXUKGRNBV-UHFFFAOYSA-N
XLogP2.17
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-(4-methylsulfanylbutyl)pyridine-2,6-diamine
CID 102759914
N-[3-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 106332450
3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
CID 102759816
N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide
CID 106332229
N-[3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106341464
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
CID 102757956
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
5-chloro-2-N-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 80811591

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide (CID 106332346) is N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide is CCNc1nc(NCCCNS(C)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide?
The InChIKey is WRQVXWXUKGRNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2N4O2S/c1-3-14-10-8(12)7-9(13)11(17-10)15-5-4-6-16-20(2,18)19/h7,16H,3-6H2,1-2H3,(H2,14,15,17).
What are the key properties of N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide?
N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide has a molecular weight of 341.26 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).