N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide

C13H26N2O3S — CID 120556023

IUPACN-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide
SMILESCCCCCS(=O)(=O)CC(=O)NC1CCNCC1C
InChIInChI=1S/C13H26N2O3S/c1-3-4-5-8-19(17,18)10-13(16)15-12-6-7-14-9-11(12)2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyCBLDWLLFLVMTQQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.71
Rot. Bonds7

About N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide

N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide (PubChem CID 120556023) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide
PubChem CID120556023
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide
SMILESCCCCCS(=O)(=O)CC(=O)NC1CCNCC1C
InChIInChI=1S/C13H26N2O3S/c1-3-4-5-8-19(17,18)10-13(16)15-12-6-7-14-9-11(12)2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyCBLDWLLFLVMTQQ-UHFFFAOYSA-N
XLogP0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.71
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-(3-methylpiperidin-4-yl)decanamide
CID 79886452
N-(2-methylpiperidin-3-yl)-2-pentylsulfonylacetamide;hydrochloride
CID 120577037
N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide
CID 120554463
N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide
CID 120557827
N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551
N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119601555
N-(4-methylpiperidin-3-yl)nonanamide
CID 65449508
2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120553416
N-(2-methylpiperidin-3-yl)-2-propylsulfonylacetamide
CID 120577111
2-butoxy-N-(3-methylpiperidin-4-yl)propanamide
CID 120553227
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
CID 120553973
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide (CID 120556023) is N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide is CCCCCS(=O)(=O)CC(=O)NC1CCNCC1C.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide?
The InChIKey is CBLDWLLFLVMTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-4-5-8-19(17,18)10-13(16)15-12-6-7-14-9-11(12)2/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide?
N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide has a molecular weight of 290.43 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide is sourced from PubChem (CID 120556023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).