4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine

C13H25NO3S — CID 129349519

IUPAC4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine
SMILESCC1(C)CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1
InChIInChI=1S/C13H25NO3S/c1-13(2)6-8-14(9-7-13)18(15,16)11-12-5-3-4-10-17-12/h12H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyVZXIXXBXACSPGS-LBPRGKRZSA-N
MW275.41 g/mol
LogP2.01
Rot. Bonds3

About 4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine

4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine (PubChem CID 129349519) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine
PubChem CID129349519
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine
SMILESCC1(C)CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1
InChIInChI=1S/C13H25NO3S/c1-13(2)6-8-14(9-7-13)18(15,16)11-12-5-3-4-10-17-12/h12H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyVZXIXXBXACSPGS-LBPRGKRZSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane
CID 110197987
7-Ethylsulfonyl-3-methoxy-7-azaspiro[3.5]nonane
CID 110197988
9-Propylsulfonyl-1-oxa-9-azaspiro[5.5]undecane
CID 110203881
8-(Oxan-4-ylsulfonyl)-8-azaspiro[4.5]decane
CID 72006481
1-methyl-4-[[4-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]piperidin-4-yl]methyl]piperazine
CID 164634507
1-[[4-(1,1-Difluoroethyl)oxan-4-yl]methylsulfonyl]-4-methoxypiperidine
CID 146149205
3-Fluoro-1-[(2-methyloxan-4-yl)methylsulfonyl]piperidine
CID 167757407
4-Methyl-1-(oxan-4-ylmethylsulfonyl)piperidine
CID 59862714
1-(Oxan-2-ylmethylsulfonyl)piperidine
CID 127268253
4-(4-Ethyl-4-methyloctoxy)-1-propan-2-ylsulfonylpiperidine
CID 146230280
9-Propan-2-yloxy-3-propan-2-ylsulfonyl-3-azaspiro[5.5]undecane
CID 178443483
4-(4-Methylcyclohexyl)oxy-1-propylsulfonylpiperidine
CID 53600422

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine?
The IUPAC name of 4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine (CID 129349519) is 4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine.
What is the SMILES notation for 4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine?
The canonical SMILES for 4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine is CC1(C)CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine?
The InChIKey is VZXIXXBXACSPGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-13(2)6-8-14(9-7-13)18(15,16)11-12-5-3-4-10-17-12/h12H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine?
4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine has a molecular weight of 275.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[(2S)-oxan-2-yl]methylsulfonyl]piperidine is sourced from PubChem (CID 129349519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).