N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide

C8H15ClN2O3S — CID 107652387

IUPACN-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)CCCl)C1
InChIInChI=1S/C8H15ClN2O3S/c1-7(12)10-8-2-4-11(6-8)15(13,14)5-3-9/h8H,2-6H2,1H3,(H,10,12)
InChIKeyOYXWKBGNKYQHOX-UHFFFAOYSA-N
MW254.74 g/mol
LogP-0.23
Rot. Bonds4

About N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide

N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide (PubChem CID 107652387) has the molecular formula C8H15ClN2O3S and a molecular weight of 254.74 g/mol. Its IUPAC name is N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide
PubChem CID107652387
Molecular FormulaC8H15ClN2O3S
Molecular Weight254.74 g/mol
Exact Mass254.05
IUPAC NameN-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)CCCl)C1
InChIInChI=1S/C8H15ClN2O3S/c1-7(12)10-8-2-4-11(6-8)15(13,14)5-3-9/h8H,2-6H2,1H3,(H,10,12)
InChIKeyOYXWKBGNKYQHOX-UHFFFAOYSA-N
XLogP-0.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 5-0.23
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

N-(1-propylsulfonylpiperidin-3-yl)acetamide
CID 61384209
N-[1-(2-chloroethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 107651086
methyl 4-(4-acetamidopiperidin-1-yl)sulfonylbutanoate
CID 115634589
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884
2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 107652578
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
1-ethylsulfonyl-N-methylpyrrolidin-3-amine
CID 83698131
N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide
CID 54877232
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
CID 97313143
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide (CID 107652387) is N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(S(=O)(=O)CCCl)C1.
What is the InChIKey of N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is OYXWKBGNKYQHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O3S/c1-7(12)10-8-2-4-11(6-8)15(13,14)5-3-9/h8H,2-6H2,1H3,(H,10,12).
What are the key properties of N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide?
N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 254.74 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 107652387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).