6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide

C12H17N3O2S — CID 98018065

IUPAC6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide
SMILESC=CCNS(=O)(=O)c1cnc(NC2CC2)c(C)c1
InChIInChI=1S/C12H17N3O2S/c1-3-6-14-18(16,17)11-7-9(2)12(13-8-11)15-10-4-5-10/h3,7-8,10,14H,1,4-6H2,2H3,(H,13,15)
InChIKeyHETFGPKEGNMTQP-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.43
Rot. Bonds6

About 6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide

6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide (PubChem CID 98018065) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide
PubChem CID98018065
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide
SMILESC=CCNS(=O)(=O)c1cnc(NC2CC2)c(C)c1
InChIInChI=1S/C12H17N3O2S/c1-3-6-14-18(16,17)11-7-9(2)12(13-8-11)15-10-4-5-10/h3,7-8,10,14H,1,4-6H2,2H3,(H,13,15)
InChIKeyHETFGPKEGNMTQP-UHFFFAOYSA-N
XLogP1.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-methyl-6-(methylamino)pyridine-3-sulfonamide
CID 82474147
6-bromo-N-prop-2-enylpyridine-3-sulfonamide
CID 82093746
N-ethyl-5-methyl-6-(propan-2-ylamino)pyridine-3-sulfonamide
CID 96665001
6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide
CID 98016686
4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 27243561
1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol
CID 102545010
6-amino-N-ethyl-5-methylpyridine-3-sulfonamide
CID 82471323
3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide
CID 56731610
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 25252496
2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 64601658
3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 46652326

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide?
The IUPAC name of 6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide (CID 98018065) is 6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide?
The canonical SMILES for 6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide is C=CCNS(=O)(=O)c1cnc(NC2CC2)c(C)c1.
What is the InChIKey of 6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide?
The InChIKey is HETFGPKEGNMTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-6-14-18(16,17)11-7-9(2)12(13-8-11)15-10-4-5-10/h3,7-8,10,14H,1,4-6H2,2H3,(H,13,15).
What are the key properties of 6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide?
6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide is sourced from PubChem (CID 98018065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).