3-methylsulfonyl-1-propan-2-ylpiperidine

C9H19NO2S — CID 146319566

IUPAC3-methylsulfonyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-8(2)10-6-4-5-9(7-10)13(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyWDCORPNTSWMPOD-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.90
Rot. Bonds2

About 3-methylsulfonyl-1-propan-2-ylpiperidine

3-methylsulfonyl-1-propan-2-ylpiperidine (PubChem CID 146319566) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-methylsulfonyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-methylsulfonyl-1-propan-2-ylpiperidine
PubChem CID146319566
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-methylsulfonyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-8(2)10-6-4-5-9(7-10)13(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyWDCORPNTSWMPOD-UHFFFAOYSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfonyl-1-[1-(4-methylsulfonylphenyl)ethyl]piperidine
CID 136534212
(3R)-1-benzhydryl-3-methylsulfonylpiperidine
CID 125141980
(2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine
CID 130715172
1-tert-butyl-3-methylsulfonylpiperidine
CID 59640673
N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65074446
(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364
N-methyl-N,1-di(propan-2-yl)piperidin-3-amine
CID 159984005
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
3-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 134456922
N-methyl-N,1-di(propan-2-yl)piperidine-3-carboxamide
CID 153039047

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-propan-2-ylpiperidine?
The IUPAC name of 3-methylsulfonyl-1-propan-2-ylpiperidine (CID 146319566) is 3-methylsulfonyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-methylsulfonyl-1-propan-2-ylpiperidine?
The canonical SMILES for 3-methylsulfonyl-1-propan-2-ylpiperidine is CC(C)N1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 3-methylsulfonyl-1-propan-2-ylpiperidine?
The InChIKey is WDCORPNTSWMPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)10-6-4-5-9(7-10)13(3,11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-methylsulfonyl-1-propan-2-ylpiperidine?
3-methylsulfonyl-1-propan-2-ylpiperidine has a molecular weight of 205.32 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 146319566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).