3-methylsulfonyl-N-prop-2-enylpyridin-2-amine

C9H12N2O2S — CID 114598823

IUPAC3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
SMILESC=CCNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C9H12N2O2S/c1-3-6-10-9-8(14(2,12)13)5-4-7-11-9/h3-5,7H,1,6H2,2H3,(H,10,11)
InChIKeyNICXHSUQCGUBKR-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.08
Rot. Bonds4

About 3-methylsulfonyl-N-prop-2-enylpyridin-2-amine

3-methylsulfonyl-N-prop-2-enylpyridin-2-amine (PubChem CID 114598823) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-methylsulfonyl-N-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
PubChem CID114598823
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
SMILESC=CCNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C9H12N2O2S/c1-3-6-10-9-8(14(2,12)13)5-4-7-11-9/h3-5,7H,1,6H2,2H3,(H,10,11)
InChIKeyNICXHSUQCGUBKR-UHFFFAOYSA-N
XLogP1.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 114598887
N-[[4-(chloromethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 107233152
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 114598664
2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 106545025
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025
N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine
CID 106544549
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114600015
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-prop-2-enylpyridin-2-amine?
The IUPAC name of 3-methylsulfonyl-N-prop-2-enylpyridin-2-amine (CID 114598823) is 3-methylsulfonyl-N-prop-2-enylpyridin-2-amine.
What is the SMILES notation for 3-methylsulfonyl-N-prop-2-enylpyridin-2-amine?
The canonical SMILES for 3-methylsulfonyl-N-prop-2-enylpyridin-2-amine is C=CCNc1ncccc1S(C)(=O)=O.
What is the InChIKey of 3-methylsulfonyl-N-prop-2-enylpyridin-2-amine?
The InChIKey is NICXHSUQCGUBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-3-6-10-9-8(14(2,12)13)5-4-7-11-9/h3-5,7H,1,6H2,2H3,(H,10,11).
What are the key properties of 3-methylsulfonyl-N-prop-2-enylpyridin-2-amine?
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine has a molecular weight of 212.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 114598823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).