1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide

C12H19N3O2S — CID 106086856

IUPAC1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)C(C)CNC2CC2)n1
InChIInChI=1S/C12H19N3O2S/c1-9-4-3-5-12(14-9)15-18(16,17)10(2)8-13-11-6-7-11/h3-5,10-11,13H,6-8H2,1-2H3,(H,14,15)
InChIKeyMCOAWEQQNNSFIA-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.27
Rot. Bonds6

About 1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide (PubChem CID 106086856) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
PubChem CID106086856
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)C(C)CNC2CC2)n1
InChIInChI=1S/C12H19N3O2S/c1-9-4-3-5-12(14-9)15-18(16,17)10(2)8-13-11-6-7-11/h3-5,10-11,13H,6-8H2,1-2H3,(H,14,15)
InChIKeyMCOAWEQQNNSFIA-UHFFFAOYSA-N
XLogP1.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086976
1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643
N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106020370
N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106060415
1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
CID 106031224
1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
1-(cyclopropylamino)-N-(2,6-dibromo-4-methylphenyl)propane-2-sulfonamide
CID 106001978
1-(cyclopropylamino)-N-(4-propylphenyl)propane-2-sulfonamide
CID 106026307
1-(cyclopropylamino)-N-(1-phenylpropyl)propane-2-sulfonamide
CID 106055064
1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
CID 106002465
1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide (CID 106086856) is 1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide is Cc1cccc(NS(=O)(=O)C(C)CNC2CC2)n1.
What is the InChIKey of 1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
The InChIKey is MCOAWEQQNNSFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-4-3-5-12(14-9)15-18(16,17)10(2)8-13-11-6-7-11/h3-5,10-11,13H,6-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide is sourced from PubChem (CID 106086856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).