tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate

C13H26N2O4S — CID 80562119

IUPACtert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate
SMILESCC(CS(C)(=O)=O)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O4S/c1-9(8-20(5,17)18)14-10-6-11(7-10)15-12(16)19-13(2,3)4/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyCFIVWOGHVSZEQB-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.06
Rot. Bonds5

About tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate

tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate (PubChem CID 80562119) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate
PubChem CID80562119
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nametert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate
SMILESCC(CS(C)(=O)=O)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O4S/c1-9(8-20(5,17)18)14-10-6-11(7-10)15-12(16)19-13(2,3)4/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyCFIVWOGHVSZEQB-UHFFFAOYSA-N
XLogP1.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237655
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088
tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate
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tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759524
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825
tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate
CID 80560744
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972049

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate (CID 80562119) is tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate is CC(CS(C)(=O)=O)NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate?
The InChIKey is CFIVWOGHVSZEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-9(8-20(5,17)18)14-10-6-11(7-10)15-12(16)19-13(2,3)4/h9-11,14H,6-8H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate has a molecular weight of 306.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 80562119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).