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

C15H20N2O2S — CID 60844957

IUPAC3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
SMILESCC1CCCCN1S(=O)(=O)c1ccccc1C#CCN
InChIInChI=1S/C15H20N2O2S/c1-13-7-4-5-12-17(13)20(18,19)15-10-3-2-8-14(15)9-6-11-16/h2-3,8,10,13H,4-5,7,11-12,16H2,1H3
InChIKeyUKWSLCHXCZASEL-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.56
Rot. Bonds2

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

3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine (PubChem CID 60844957) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
PubChem CID60844957
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
SMILESCC1CCCCN1S(=O)(=O)c1ccccc1C#CCN
InChIInChI=1S/C15H20N2O2S/c1-13-7-4-5-12-17(13)20(18,19)15-10-3-2-8-14(15)9-6-11-16/h2-3,8,10,13H,4-5,7,11-12,16H2,1H3
InChIKeyUKWSLCHXCZASEL-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

2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 3523290
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide
CID 60814619
3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844774
3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844776
[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine
CID 26585324
2-(2-aminoazepan-1-yl)sulfonylbenzonitrile
CID 64560346
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide
CID 102821759
5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773901
(2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine
CID 760946
[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine
CID 104689604
3-[2-methyl-4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60973951
2-(2,4-dimethylpiperidin-1-yl)sulfonylbenzonitrile
CID 62330010

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine (CID 60844957) is 3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine is CC1CCCCN1S(=O)(=O)c1ccccc1C#CCN.
What is the InChIKey of 3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
The InChIKey is UKWSLCHXCZASEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-13-7-4-5-12-17(13)20(18,19)15-10-3-2-8-14(15)9-6-11-16/h2-3,8,10,13H,4-5,7,11-12,16H2,1H3.
What are the key properties of 3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
3-[2-(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-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine is sourced from PubChem (CID 60844957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).