6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine

C9H14ClN3O2S — CID 102809402

IUPAC6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine
SMILESCS(=O)(=O)CCCNc1cc(N)cc(Cl)n1
InChIInChI=1S/C9H14ClN3O2S/c1-16(14,15)4-2-3-12-9-6-7(11)5-8(10)13-9/h5-6H,2-4H2,1H3,(H3,11,12,13)
InChIKeyDLVVAEICDDDJKD-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.16
Rot. Bonds5

About 6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine

6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine (PubChem CID 102809402) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine
PubChem CID102809402
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine
SMILESCS(=O)(=O)CCCNc1cc(N)cc(Cl)n1
InChIInChI=1S/C9H14ClN3O2S/c1-16(14,15)4-2-3-12-9-6-7(11)5-8(10)13-9/h5-6H,2-4H2,1H3,(H3,11,12,13)
InChIKeyDLVVAEICDDDJKD-UHFFFAOYSA-N
XLogP1.16
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine
CID 104923902
4-N-(3-methylsulfonylpropyl)pyrimidine-2,4,6-triamine
CID 80812862
2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine
CID 106890224
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 80934736
6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine
CID 133354069
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80939830
(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
CID 126987917
2,4,6-trichloro-N-(3-methylsulfonylpropyl)aniline
CID 63190712
5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine
CID 114475440
6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine
CID 102809450
6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine
CID 63591649

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine (CID 102809402) is 6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine is CS(=O)(=O)CCCNc1cc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine?
The InChIKey is DLVVAEICDDDJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-16(14,15)4-2-3-12-9-6-7(11)5-8(10)13-9/h5-6H,2-4H2,1H3,(H3,11,12,13).
What are the key properties of 6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine?
6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine has a molecular weight of 263.75 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine is sourced from PubChem (CID 102809402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).