3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine

C11H20ClNO2S — CID 79622239

IUPAC3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(CC2(CCl)CC2)C1
InChIInChI=1S/C11H20ClNO2S/c1-16(14,15)13-6-2-3-10(8-13)7-11(9-12)4-5-11/h10H,2-9H2,1H3
InChIKeyPYRCXKCPCRFWMZ-UHFFFAOYSA-N
MW265.81 g/mol
LogP2.07
Rot. Bonds4

About 3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine

3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine (PubChem CID 79622239) has the molecular formula C11H20ClNO2S and a molecular weight of 265.81 g/mol. Its IUPAC name is 3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
PubChem CID79622239
Molecular FormulaC11H20ClNO2S
Molecular Weight265.81 g/mol
Exact Mass265.09
IUPAC Name3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(CC2(CCl)CC2)C1
InChIInChI=1S/C11H20ClNO2S/c1-16(14,15)13-6-2-3-10(8-13)7-11(9-12)4-5-11/h10H,2-9H2,1H3
InChIKeyPYRCXKCPCRFWMZ-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 52.07
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-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 79622813
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
CID 79623271
4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
CID 79610502
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 79621983
3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 80561478
N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine
CID 103727757
3-(4-chlorobutyl)-1-methylsulfonylpiperidine
CID 79622058
3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 112563941
3-[(1-methylsulfonylpiperidin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79612923
4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79620255

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine?
The IUPAC name of 3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine (CID 79622239) is 3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine?
The canonical SMILES for 3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCCC(CC2(CCl)CC2)C1.
What is the InChIKey of 3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine?
The InChIKey is PYRCXKCPCRFWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2S/c1-16(14,15)13-6-2-3-10(8-13)7-11(9-12)4-5-11/h10H,2-9H2,1H3.
What are the key properties of 3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine?
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine has a molecular weight of 265.81 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 79622239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).