N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride

C13H27ClN2O3S — CID 120577037

IUPACN-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride
SMILESCCCCCS(=O)(=O)CC(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C13H26N2O3S.ClH/c1-3-4-5-9-19(17,18)10-13(16)15-12-7-6-8-14-11(12)2;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyQHQGAAVVUDXEPO-UHFFFAOYSA-N
MW326.89 g/mol
LogP1.27
Rot. Bonds7

About N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride (PubChem CID 120577037) has the molecular formula C13H27ClN2O3S and a molecular weight of 326.89 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride
PubChem CID120577037
Molecular FormulaC13H27ClN2O3S
Molecular Weight326.89 g/mol
Exact Mass326.14
IUPAC NameN-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride
SMILESCCCCCS(=O)(=O)CC(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C13H26N2O3S.ClH/c1-3-4-5-9-19(17,18)10-13(16)15-12-7-6-8-14-11(12)2;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyQHQGAAVVUDXEPO-UHFFFAOYSA-N
XLogP1.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-propylsulfonylacetamide
CID 120577111
N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119601555
N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide
CID 120556023
2-[(4-methylcyclohexyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575817
2-[methyl(methylsulfonyl)amino]-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575937
2-(4-chlorophenyl)sulfonyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120576176
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
3-[[butyl(methyl)sulfamoyl]amino]-2-methylpiperidine;hydrochloride
CID 120726699
N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide
CID 130763417
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
N-(2-methylpiperidin-3-yl)hex-5-enamide
CID 120576314

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride (CID 120577037) is N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride is CCCCCS(=O)(=O)CC(=O)NC1CCCNC1C.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride?
The InChIKey is QHQGAAVVUDXEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S.ClH/c1-3-4-5-9-19(17,18)10-13(16)15-12-7-6-8-14-11(12)2;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride is sourced from PubChem (CID 120577037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).