methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate

C14H25NO4S — CID 57106621

IUPACmethyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H25NO4S/c1-19-14(16)13-9-5-6-10-15(13)20(17,18)11-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3/t13-/m0/s1
InChIKeyFTSUFXRNAXLNHQ-ZDUSSCGKSA-N
MW303.42 g/mol
LogP1.92
Rot. Bonds4

About methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate

methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate (PubChem CID 57106621) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate
PubChem CID57106621
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Namemethyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H25NO4S/c1-19-14(16)13-9-5-6-10-15(13)20(17,18)11-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3/t13-/m0/s1
InChIKeyFTSUFXRNAXLNHQ-ZDUSSCGKSA-N
XLogP1.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate (CID 57106621) is methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate is COC(=O)[C@@H]1CCCCN1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate?
The InChIKey is FTSUFXRNAXLNHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-19-14(16)13-9-5-6-10-15(13)20(17,18)11-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3/t13-/m0/s1.
What are the key properties of methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate?
methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate has a molecular weight of 303.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate is sourced from PubChem (CID 57106621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).