tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate

C12H25N3O4S — CID 47215822

IUPACtert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate
SMILESCN(C)S(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O4S/c1-12(2,3)19-11(16)13-10-6-8-15(9-7-10)20(17,18)14(4)5/h10H,6-9H2,1-5H3,(H,13,16)
InChIKeyXHSRGZCNGVMPKW-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.78
Rot. Bonds3

About tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate (PubChem CID 47215822) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate
PubChem CID47215822
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Nametert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate
SMILESCN(C)S(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O4S/c1-12(2,3)19-11(16)13-10-6-8-15(9-7-10)20(17,18)14(4)5/h10H,6-9H2,1-5H3,(H,13,16)
InChIKeyXHSRGZCNGVMPKW-UHFFFAOYSA-N
XLogP0.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate (CID 47215822) is tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate is CN(C)S(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate?
The InChIKey is XHSRGZCNGVMPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-12(2,3)19-11(16)13-10-6-8-15(9-7-10)20(17,18)14(4)5/h10H,6-9H2,1-5H3,(H,13,16).
What are the key properties of tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate has a molecular weight of 307.42 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 47215822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).