N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide

C15H21N3O2S — CID 60814619

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C15H21N3O2S/c1-13-7-4-5-12-18(13)21(19,20)17-15-10-3-2-8-14(15)9-6-11-16/h2-3,8,10,13,17H,4-5,7,11-12,16H2,1H3
InChIKeyJKNDIFZCQYVJHD-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.53
Rot. Bonds3

About N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 60814619) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide
PubChem CID60814619
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C15H21N3O2S/c1-13-7-4-5-12-18(13)21(19,20)17-15-10-3-2-8-14(15)9-6-11-16/h2-3,8,10,13,17H,4-5,7,11-12,16H2,1H3
InChIKeyJKNDIFZCQYVJHD-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844957
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide
CID 102821759
2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43210819
3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844774
N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
CID 112557464
3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844776
2-(3-aminoprop-1-ynyl)-N-(propan-2-ylsulfamoyl)aniline
CID 114812041
N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide
CID 43550872
2-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)aniline
CID 114812037
N-(3-amino-4-pyridinyl)-2-methylpiperidine-1-sulfonamide
CID 63063634
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 79163308
2-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)piperidine-1-sulfonamide
CID 43093895

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide (CID 60814619) is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)Nc1ccccc1C#CCN.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is JKNDIFZCQYVJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-13-7-4-5-12-18(13)21(19,20)17-15-10-3-2-8-14(15)9-6-11-16/h2-3,8,10,13,17H,4-5,7,11-12,16H2,1H3.
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 60814619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).