propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate

C13H25N3O4S — CID 114467189

IUPACpropan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C13H25N3O4S/c1-10(2)20-13(17)15-21(18,19)16-7-3-4-11(9-16)8-14-12-5-6-12/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyURWLZSRQBUUBCP-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.83
Rot. Bonds6

About propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate

propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate (PubChem CID 114467189) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
PubChem CID114467189
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Namepropan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C13H25N3O4S/c1-10(2)20-13(17)15-21(18,19)16-7-3-4-11(9-16)8-14-12-5-6-12/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyURWLZSRQBUUBCP-UHFFFAOYSA-N
XLogP0.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
CID 114464288
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106091198
propan-2-yl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
CID 114464671
N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63880154
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106054051
propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
CID 114464921
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate
CID 114464874
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099
N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551858

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate (CID 114467189) is propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1CCCC(CNC2CC2)C1.
What is the InChIKey of propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate?
The InChIKey is URWLZSRQBUUBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-10(2)20-13(17)15-21(18,19)16-7-3-4-11(9-16)8-14-12-5-6-12/h10-12,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate?
propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate has a molecular weight of 319.43 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114467189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).