2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide

C11H21ClN2O3S — CID 43696323

IUPAC2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)C(C)Cl)CC1
InChIInChI=1S/C11H21ClN2O3S/c1-3-8-18(16,17)14-6-4-10(5-7-14)13-11(15)9(2)12/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyMLWKBEUQBXUKJI-UHFFFAOYSA-N
MW296.82 g/mol
LogP0.93
Rot. Bonds5

About 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide

2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide (PubChem CID 43696323) has the molecular formula C11H21ClN2O3S and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
PubChem CID43696323
Molecular FormulaC11H21ClN2O3S
Molecular Weight296.82 g/mol
Exact Mass296.10
IUPAC Name2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)C(C)Cl)CC1
InChIInChI=1S/C11H21ClN2O3S/c1-3-8-18(16,17)14-6-4-10(5-7-14)13-11(15)9(2)12/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyMLWKBEUQBXUKJI-UHFFFAOYSA-N
XLogP0.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 62854305
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
N-[1-(2-chloroethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 107651086
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 61154783
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
ethyl N-[3-methyl-1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]butan-2-yl]carbamate
CID 55694270
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
2-bromo-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylbutanamide
CID 61251555
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 75537886
N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
CID 55839167

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide (CID 43696323) is 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide is CCCS(=O)(=O)N1CCC(NC(=O)C(C)Cl)CC1.
What is the InChIKey of 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is MLWKBEUQBXUKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O3S/c1-3-8-18(16,17)14-6-4-10(5-7-14)13-11(15)9(2)12/h9-10H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide?
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 296.82 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 43696323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).