3-methyl-1-methylsulfonyl-3-propylpiperidine

C10H21NO2S — CID 71870439

IUPAC3-methyl-1-methylsulfonyl-3-propylpiperidine
SMILESCCCC1(C)CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-4-6-10(2)7-5-8-11(9-10)14(3,12)13/h4-9H2,1-3H3
InChIKeyUXFKFRIPNJJFEJ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.85
Rot. Bonds3

About 3-methyl-1-methylsulfonyl-3-propylpiperidine

3-methyl-1-methylsulfonyl-3-propylpiperidine (PubChem CID 71870439) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-methyl-1-methylsulfonyl-3-propylpiperidine.

Molecular Properties

Compound Name3-methyl-1-methylsulfonyl-3-propylpiperidine
PubChem CID71870439
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-methyl-1-methylsulfonyl-3-propylpiperidine
SMILESCCCC1(C)CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-4-6-10(2)7-5-8-11(9-10)14(3,12)13/h4-9H2,1-3H3
InChIKeyUXFKFRIPNJJFEJ-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Methylhexan-3-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126648109
4-Tert-butyl-3-fluoro-1-methylsulfonylpiperidine
CID 168140854
4-(2,2-Dimethylpropyl)-4-fluoro-1-methylsulfonylpiperidine
CID 169892274
4-Fluoro-4-(2-methylpropyl)-1-methylsulfonylpiperidine
CID 169893620
4-(Fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine
CID 169939643
4-(Difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine
CID 169939660
(4S)-4-(fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine
CID 170135632
(4S)-4-(difluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine
CID 170135633
(3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine
CID 171581880
4-Tert-butyl-1-(fluoromethylsulfonyl)piperidine
CID 171582021
(3R,4S)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine
CID 171582099
1-(Difluoromethylsulfonyl)-3-propylpiperidine
CID 176666205

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfonyl-3-propylpiperidine?
The IUPAC name of 3-methyl-1-methylsulfonyl-3-propylpiperidine (CID 71870439) is 3-methyl-1-methylsulfonyl-3-propylpiperidine.
What is the SMILES notation for 3-methyl-1-methylsulfonyl-3-propylpiperidine?
The canonical SMILES for 3-methyl-1-methylsulfonyl-3-propylpiperidine is CCCC1(C)CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-1-methylsulfonyl-3-propylpiperidine?
The InChIKey is UXFKFRIPNJJFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-6-10(2)7-5-8-11(9-10)14(3,12)13/h4-9H2,1-3H3.
What are the key properties of 3-methyl-1-methylsulfonyl-3-propylpiperidine?
3-methyl-1-methylsulfonyl-3-propylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfonyl-3-propylpiperidine is sourced from PubChem (CID 71870439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).