[[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate

C14H21N3O4S — CID 175222339

IUPAC[[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate
SMILESCNS(=O)(=O)N1CCC(C(OC(N)=O)c2ccccc2)CC1
InChIInChI=1S/C14H21N3O4S/c1-16-22(19,20)17-9-7-12(8-10-17)13(21-14(15)18)11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3,(H2,15,18)
InChIKeyCEOSLDQHGJEQJL-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.00
Rot. Bonds5

About [[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate

[[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate (PubChem CID 175222339) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is [[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate.

Molecular Properties

Compound Name[[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate
PubChem CID175222339
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name[[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate
SMILESCNS(=O)(=O)N1CCC(C(OC(N)=O)c2ccccc2)CC1
InChIInChI=1S/C14H21N3O4S/c1-16-22(19,20)17-9-7-12(8-10-17)13(21-14(15)18)11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3,(H2,15,18)
InChIKeyCEOSLDQHGJEQJL-UHFFFAOYSA-N
XLogP1.00
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate?
The IUPAC name of [[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate (CID 175222339) is [[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate.
What is the SMILES notation for [[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate?
The canonical SMILES for [[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate is CNS(=O)(=O)N1CCC(C(OC(N)=O)c2ccccc2)CC1.
What is the InChIKey of [[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate?
The InChIKey is CEOSLDQHGJEQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-16-22(19,20)17-9-7-12(8-10-17)13(21-14(15)18)11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3,(H2,15,18).
What are the key properties of [[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate?
[[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate has a molecular weight of 327.41 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate is sourced from PubChem (CID 175222339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).