tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate

C9H19N3O4S — CID 167723970

IUPACtert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CN(S(N)(=O)=O)C1
InChIInChI=1S/C9H19N3O4S/c1-8(2,3)16-7(13)11-9(4)5-12(6-9)17(10,14)15/h5-6H2,1-4H3,(H,11,13)(H2,10,14,15)
InChIKeyUEERYVSHIQRWHU-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.21
Rot. Bonds2

About tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate

tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate (PubChem CID 167723970) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate
PubChem CID167723970
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Nametert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CN(S(N)(=O)=O)C1
InChIInChI=1S/C9H19N3O4S/c1-8(2,3)16-7(13)11-9(4)5-12(6-9)17(10,14)15/h5-6H2,1-4H3,(H,11,13)(H2,10,14,15)
InChIKeyUEERYVSHIQRWHU-UHFFFAOYSA-N
XLogP-0.21
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
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tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate
CID 126970299
tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate
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tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate
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tert-butyl N-(3-methyl-5-oxopyrrolidin-3-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate (CID 167723970) is tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate is CC1(NC(=O)OC(C)(C)C)CN(S(N)(=O)=O)C1.
What is the InChIKey of tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate?
The InChIKey is UEERYVSHIQRWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-8(2,3)16-7(13)11-9(4)5-12(6-9)17(10,14)15/h5-6H2,1-4H3,(H,11,13)(H2,10,14,15).
What are the key properties of tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate?
tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate has a molecular weight of 265.33 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate is sourced from PubChem (CID 167723970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).