propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate

C11H23N3O4S — CID 114463267

IUPACpropan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1NCCCC1C
InChIInChI=1S/C11H23N3O4S/c1-8(2)18-11(15)14-19(16,17)13-7-10-9(3)5-4-6-12-10/h8-10,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyUHBMKJZBVJWYLX-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.34
Rot. Bonds5

About propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate

propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate (PubChem CID 114463267) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate
PubChem CID114463267
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Namepropan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1NCCCC1C
InChIInChI=1S/C11H23N3O4S/c1-8(2)18-11(15)14-19(16,17)13-7-10-9(3)5-4-6-12-10/h8-10,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyUHBMKJZBVJWYLX-UHFFFAOYSA-N
XLogP0.34
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylpiperidin-2-yl)-N-(methylsulfamoyl)methanamine
CID 114807536
propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114464267
N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide
CID 113421960
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305307
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate
CID 114761689
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate
CID 107389934
propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
CID 114464254
propan-2-yl N-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
CID 106610356
1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304934

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate (CID 114463267) is propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCC1NCCCC1C.
What is the InChIKey of propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate?
The InChIKey is UHBMKJZBVJWYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-8(2)18-11(15)14-19(16,17)13-7-10-9(3)5-4-6-12-10/h8-10,12-13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate?
propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate has a molecular weight of 293.39 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate is sourced from PubChem (CID 114463267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).