N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide

C11H21ClN2O4S — CID 54877232

IUPACN-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(S(=O)(=O)CCCCl)CC1
InChIInChI=1S/C11H21ClN2O4S/c1-18-9-11(15)13-10-3-6-14(7-4-10)19(16,17)8-2-5-12/h10H,2-9H2,1H3,(H,13,15)
InChIKeyYRJCAHVOIGYYHZ-UHFFFAOYSA-N
MW312.82 g/mol
LogP0.17
Rot. Bonds7

About N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide

N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide (PubChem CID 54877232) has the molecular formula C11H21ClN2O4S and a molecular weight of 312.82 g/mol. Its IUPAC name is N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide
PubChem CID54877232
Molecular FormulaC11H21ClN2O4S
Molecular Weight312.82 g/mol
Exact Mass312.09
IUPAC NameN-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(S(=O)(=O)CCCCl)CC1
InChIInChI=1S/C11H21ClN2O4S/c1-18-9-11(15)13-10-3-6-14(7-4-10)19(16,17)8-2-5-12/h10H,2-9H2,1H3,(H,13,15)
InChIKeyYRJCAHVOIGYYHZ-UHFFFAOYSA-N
XLogP0.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
methyl 4-[4-(propanoylamino)piperidin-1-yl]sulfonylbutanoate
CID 61460432
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide
CID 61045778
N-[1-(2-chloroethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 107651086
methyl 4-(4-acetamidopiperidin-1-yl)sulfonylbutanoate
CID 115634589
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 75537886
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide (CID 54877232) is N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(S(=O)(=O)CCCCl)CC1.
What is the InChIKey of N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is YRJCAHVOIGYYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O4S/c1-18-9-11(15)13-10-3-6-14(7-4-10)19(16,17)8-2-5-12/h10H,2-9H2,1H3,(H,13,15).
What are the key properties of N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide?
N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 312.82 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 54877232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).