methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate

C9H18N2O4S — CID 4593023

IUPACmethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H18N2O4S/c1-10(2)16(13,14)11-6-4-8(5-7-11)9(12)15-3/h8H,4-7H2,1-3H3
InChIKeyYTMFEVNDIOYERE-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.32
Rot. Bonds3

About methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate

methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate (PubChem CID 4593023) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate
PubChem CID4593023
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H18N2O4S/c1-10(2)16(13,14)11-6-4-8(5-7-11)9(12)15-3/h8H,4-7H2,1-3H3
InChIKeyYTMFEVNDIOYERE-UHFFFAOYSA-N
XLogP-0.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate (CID 4593023) is methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is YTMFEVNDIOYERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-10(2)16(13,14)11-6-4-8(5-7-11)9(12)15-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate?
methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate has a molecular weight of 250.32 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(dimethylsulfamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 4593023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).