3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine

C15H20N2O2S — CID 60844085

IUPAC3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
SMILESCC1CCN(S(=O)(=O)c2ccc(C#CCN)cc2)CC1
InChIInChI=1S/C15H20N2O2S/c1-13-8-11-17(12-9-13)20(18,19)15-6-4-14(5-7-15)3-2-10-16/h4-7,13H,8-12,16H2,1H3
InChIKeyWGQUWQCKNIKTDN-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.42
Rot. Bonds2

About 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine

3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine (PubChem CID 60844085) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
PubChem CID60844085
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
SMILESCC1CCN(S(=O)(=O)c2ccc(C#CCN)cc2)CC1
InChIInChI=1S/C15H20N2O2S/c1-13-8-11-17(12-9-13)20(18,19)15-6-4-14(5-7-15)3-2-10-16/h4-7,13H,8-12,16H2,1H3
InChIKeyWGQUWQCKNIKTDN-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60846371
3-[4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-yn-1-amine
CID 64598667
3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844774
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
3-[4-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 60844239
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 118308396
N-[3-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 60814956
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide
CID 102821783

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine (CID 60844085) is 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine is CC1CCN(S(=O)(=O)c2ccc(C#CCN)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
The InChIKey is WGQUWQCKNIKTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-13-8-11-17(12-9-13)20(18,19)15-6-4-14(5-7-15)3-2-10-16/h4-7,13H,8-12,16H2,1H3.
What are the key properties of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine?
3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine has a molecular weight of 292.40 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine is sourced from PubChem (CID 60844085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).