propan-2-yl N-(azepan-1-ylsulfonyl)carbamate

C10H20N2O4S — CID 114463100

IUPACpropan-2-yl N-(azepan-1-ylsulfonyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H20N2O4S/c1-9(2)16-10(13)11-17(14,15)12-7-5-3-4-6-8-12/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyWWUUHMIDNVRJPD-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.24
Rot. Bonds3

About propan-2-yl N-(azepan-1-ylsulfonyl)carbamate

propan-2-yl N-(azepan-1-ylsulfonyl)carbamate (PubChem CID 114463100) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is propan-2-yl N-(azepan-1-ylsulfonyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(azepan-1-ylsulfonyl)carbamate
PubChem CID114463100
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namepropan-2-yl N-(azepan-1-ylsulfonyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H20N2O4S/c1-9(2)16-10(13)11-17(14,15)12-7-5-3-4-6-8-12/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyWWUUHMIDNVRJPD-UHFFFAOYSA-N
XLogP1.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
CID 114464921
propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate
CID 114464217
N-piperidin-1-ylsulfonylacetamide
CID 59405916
propan-2-yl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461189
propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate
CID 114464874
propan-2-yl N-[2-(2-oxopropyl)azepan-1-yl]sulfonylcarbamate
CID 114463754
propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
CID 114467189
propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
CID 114464288
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099
propan-2-yl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
CID 114464671
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(azepan-1-ylsulfonyl)carbamate?
The IUPAC name of propan-2-yl N-(azepan-1-ylsulfonyl)carbamate (CID 114463100) is propan-2-yl N-(azepan-1-ylsulfonyl)carbamate.
What is the SMILES notation for propan-2-yl N-(azepan-1-ylsulfonyl)carbamate?
The canonical SMILES for propan-2-yl N-(azepan-1-ylsulfonyl)carbamate is CC(C)OC(=O)NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of propan-2-yl N-(azepan-1-ylsulfonyl)carbamate?
The InChIKey is WWUUHMIDNVRJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9(2)16-10(13)11-17(14,15)12-7-5-3-4-6-8-12/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of propan-2-yl N-(azepan-1-ylsulfonyl)carbamate?
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate has a molecular weight of 264.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(azepan-1-ylsulfonyl)carbamate is sourced from PubChem (CID 114463100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).