4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine

C12H19N3O2S — CID 113418711

IUPAC4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCCCC1CCN(S(=O)(=O)c2ccnc(N)c2)C1
InChIInChI=1S/C12H19N3O2S/c1-2-3-10-5-7-15(9-10)18(16,17)11-4-6-14-12(13)8-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H2,13,14)
InChIKeyYYKGEGJMOMISLT-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.47
Rot. Bonds4

About 4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine

4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 113418711) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine
PubChem CID113418711
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCCCC1CCN(S(=O)(=O)c2ccnc(N)c2)C1
InChIInChI=1S/C12H19N3O2S/c1-2-3-10-5-7-15(9-10)18(16,17)11-4-6-14-12(13)8-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H2,13,14)
InChIKeyYYKGEGJMOMISLT-UHFFFAOYSA-N
XLogP1.47
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62206687
2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
CID 107228635
4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
CID 62156937
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605128
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63603562
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 62152115
3-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 115667514
5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 55050229
3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline
CID 103171753
2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine
CID 113246633
2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 115667524
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465

Frequently Asked Questions

What is the IUPAC name of 4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine (CID 113418711) is 4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine is CCCC1CCN(S(=O)(=O)c2ccnc(N)c2)C1.
What is the InChIKey of 4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is YYKGEGJMOMISLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-3-10-5-7-15(9-10)18(16,17)11-4-6-14-12(13)8-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H2,13,14).
What are the key properties of 4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 269.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 113418711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).