1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine

C13H25ClN2O2S — CID 63400591

IUPAC1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)N1CCCC1CCCCl
InChIInChI=1S/C13H25ClN2O2S/c1-12-6-2-3-10-15(12)19(17,18)16-11-5-8-13(16)7-4-9-14/h12-13H,2-11H2,1H3
InChIKeyTUEMQGZRLGAJNW-UHFFFAOYSA-N
MW308.88 g/mol
LogP2.59
Rot. Bonds5

About 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine

1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine (PubChem CID 63400591) has the molecular formula C13H25ClN2O2S and a molecular weight of 308.88 g/mol. Its IUPAC name is 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine
PubChem CID63400591
Molecular FormulaC13H25ClN2O2S
Molecular Weight308.88 g/mol
Exact Mass308.13
IUPAC Name1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)N1CCCC1CCCCl
InChIInChI=1S/C13H25ClN2O2S/c1-12-6-2-3-10-15(12)19(17,18)16-11-5-8-13(16)7-4-9-14/h12-13H,2-11H2,1H3
InChIKeyTUEMQGZRLGAJNW-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 63400473
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55241014
2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine
CID 63400986
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine
CID 63400433
(2S)-2-methylpiperidine-1-sulfonyl chloride
CID 98117610
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 63396547
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
1-(2-chloroethyl)-4-(2-methylpiperidin-1-yl)sulfonyl-1,4-diazepane
CID 63397127
2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
CID 43654461
[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119984879

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine?
The IUPAC name of 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine (CID 63400591) is 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine is CC1CCCCN1S(=O)(=O)N1CCCC1CCCCl.
What is the InChIKey of 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine?
The InChIKey is TUEMQGZRLGAJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O2S/c1-12-6-2-3-10-15(12)19(17,18)16-11-5-8-13(16)7-4-9-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine?
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine has a molecular weight of 308.88 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine is sourced from PubChem (CID 63400591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).