1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine

C10H20ClNO3S — CID 106588259

IUPAC1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(S(=O)(=O)CCCCl)C1
InChIInChI=1S/C10H20ClNO3S/c1-15-9-10-4-2-6-12(8-10)16(13,14)7-3-5-11/h10H,2-9H2,1H3
InChIKeyYRXNPIHKFZNQPY-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.30
Rot. Bonds6

About 1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine

1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine (PubChem CID 106588259) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
PubChem CID106588259
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(S(=O)(=O)CCCCl)C1
InChIInChI=1S/C10H20ClNO3S/c1-15-9-10-4-2-6-12(8-10)16(13,14)7-3-5-11/h10H,2-9H2,1H3
InChIKeyYRXNPIHKFZNQPY-UHFFFAOYSA-N
XLogP1.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 106586181
methyl 1-(3-chloropropylsulfonyl)piperidine-3-carboxylate
CID 115536328
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
CID 64569912
N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63879116
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 106587601
1-(4-chlorobutylsulfonyl)-3-pyrrolidin-1-ylpiperidine
CID 116815438
1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine
CID 63174919
3-(4-chlorobutyl)-1-methylsulfonylpiperidine
CID 79622058

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine?
The IUPAC name of 1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine (CID 106588259) is 1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine is COCC1CCCN(S(=O)(=O)CCCCl)C1.
What is the InChIKey of 1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine?
The InChIKey is YRXNPIHKFZNQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-15-9-10-4-2-6-12(8-10)16(13,14)7-3-5-11/h10H,2-9H2,1H3.
What are the key properties of 1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine?
1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine has a molecular weight of 269.79 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine is sourced from PubChem (CID 106588259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).