3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine

C15H20N2O2S — CID 60844776

IUPAC3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C15H20N2O2S/c1-13-6-2-3-11-17(13)20(18,19)15-9-4-7-14(12-15)8-5-10-16/h4,7,9,12-13H,2-3,6,10-11,16H2,1H3
InChIKeyNWVKSEDYNKKSOH-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.56
Rot. Bonds2

About 3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine

3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine (PubChem CID 60844776) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
PubChem CID60844776
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C15H20N2O2S/c1-13-6-2-3-11-17(13)20(18,19)15-9-4-7-14(12-15)8-5-10-16/h4,7,9,12-13H,2-3,6,10-11,16H2,1H3
InChIKeyNWVKSEDYNKKSOH-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844774
3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844957
1-[3-(3-aminoprop-1-ynyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
CID 102964104
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide
CID 102821759
3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 60973434
3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
CID 93391248
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
3-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844274
(2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756864
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 119486439
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine (CID 60844776) is 3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine is CC1CCCCN1S(=O)(=O)c1cccc(C#CCN)c1.
What is the InChIKey of 3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
The InChIKey is NWVKSEDYNKKSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-13-6-2-3-11-17(13)20(18,19)15-9-4-7-14(12-15)8-5-10-16/h4,7,9,12-13H,2-3,6,10-11,16H2,1H3.
What are the key properties of 3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine has a molecular weight of 292.40 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine is sourced from PubChem (CID 60844776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).