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

C10H19ClN2O3S — CID 43425928

IUPAC2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C10H19ClN2O3S/c1-2-7-17(15,16)13-5-3-9(4-6-13)12-10(14)8-11/h9H,2-8H2,1H3,(H,12,14)
InChIKeyXDGQVOJFGYDMRH-UHFFFAOYSA-N
MW282.79 g/mol
LogP0.55
Rot. Bonds5

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

2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide (PubChem CID 43425928) has the molecular formula C10H19ClN2O3S and a molecular weight of 282.79 g/mol. Its IUPAC name is 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
PubChem CID43425928
Molecular FormulaC10H19ClN2O3S
Molecular Weight282.79 g/mol
Exact Mass282.08
IUPAC Name2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C10H19ClN2O3S/c1-2-7-17(15,16)13-5-3-9(4-6-13)12-10(14)8-11/h9H,2-8H2,1H3,(H,12,14)
InChIKeyXDGQVOJFGYDMRH-UHFFFAOYSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 50.55
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

5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 81071434
1-propyl-3-(1-propylsulfonylpiperidin-4-yl)thiourea
CID 43077022
2-bromo-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 62854305
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide
CID 54877232
3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
CID 62834981
N-[1-(2-chloroethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 107651086

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide (CID 43425928) is 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide is CCCS(=O)(=O)N1CCC(NC(=O)CCl)CC1.
What is the InChIKey of 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is XDGQVOJFGYDMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O3S/c1-2-7-17(15,16)13-5-3-9(4-6-13)12-10(14)8-11/h9H,2-8H2,1H3,(H,12,14).
What are the key properties of 2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 282.79 g/mol, XLogP of 0.55, 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)acetamide is sourced from PubChem (CID 43425928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).