1-(4-chlorobutylsulfonyl)-4-methylpiperidine

C10H20ClNO2S — CID 28704646

IUPAC1-(4-chlorobutylsulfonyl)-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)CCCCCl)CC1
InChIInChI=1S/C10H20ClNO2S/c1-10-4-7-12(8-5-10)15(13,14)9-3-2-6-11/h10H,2-9H2,1H3
InChIKeyGZCKNJWUXKVSLG-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.07
Rot. Bonds5

About 1-(4-chlorobutylsulfonyl)-4-methylpiperidine

1-(4-chlorobutylsulfonyl)-4-methylpiperidine (PubChem CID 28704646) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 1-(4-chlorobutylsulfonyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(4-chlorobutylsulfonyl)-4-methylpiperidine
PubChem CID28704646
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name1-(4-chlorobutylsulfonyl)-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)CCCCCl)CC1
InChIInChI=1S/C10H20ClNO2S/c1-10-4-7-12(8-5-10)15(13,14)9-3-2-6-11/h10H,2-9H2,1H3
InChIKeyGZCKNJWUXKVSLG-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884
5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid
CID 28704901
1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide
CID 116814717
N-[[1-(4-chlorobutylsulfonyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 116815452
4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine
CID 114539403
4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide
CID 61248403
1-(4-chlorobutylsulfonyl)-3-pyrrolidin-1-ylpiperidine
CID 116815438
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine
CID 69355171
1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine
CID 63174919
bis[2-(4-methylpiperidin-1-yl)sulfonylethylamino] oxalate
CID 170922093
N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide
CID 54877232

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutylsulfonyl)-4-methylpiperidine?
The IUPAC name of 1-(4-chlorobutylsulfonyl)-4-methylpiperidine (CID 28704646) is 1-(4-chlorobutylsulfonyl)-4-methylpiperidine.
What is the SMILES notation for 1-(4-chlorobutylsulfonyl)-4-methylpiperidine?
The canonical SMILES for 1-(4-chlorobutylsulfonyl)-4-methylpiperidine is CC1CCN(S(=O)(=O)CCCCCl)CC1.
What is the InChIKey of 1-(4-chlorobutylsulfonyl)-4-methylpiperidine?
The InChIKey is GZCKNJWUXKVSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-10-4-7-12(8-5-10)15(13,14)9-3-2-6-11/h10H,2-9H2,1H3.
What are the key properties of 1-(4-chlorobutylsulfonyl)-4-methylpiperidine?
1-(4-chlorobutylsulfonyl)-4-methylpiperidine has a molecular weight of 253.79 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutylsulfonyl)-4-methylpiperidine is sourced from PubChem (CID 28704646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).