tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate

C10H18N2O5S — CID 21362532

IUPACtert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CS(=O)(=O)NCC1C=O
InChIInChI=1S/C10H18N2O5S/c1-10(2,3)17-9(14)12-8-6-18(15,16)11-4-7(8)5-13/h5,7-8,11H,4,6H2,1-3H3,(H,12,14)
InChIKeyBGFDSACHFLKSPM-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.37
Rot. Bonds2

About tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate

tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate (PubChem CID 21362532) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate
PubChem CID21362532
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Nametert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CS(=O)(=O)NCC1C=O
InChIInChI=1S/C10H18N2O5S/c1-10(2,3)17-9(14)12-8-6-18(15,16)11-4-7(8)5-13/h5,7-8,11H,4,6H2,1-3H3,(H,12,14)
InChIKeyBGFDSACHFLKSPM-UHFFFAOYSA-N
XLogP-0.37
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 155905095
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate
CID 130003410
tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
CID 126970282
tert-butyl N-[(1S,2R)-2-formylcycloheptyl]carbamate
CID 87517913
tert-butyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 132585275
tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 134813670
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
CID 121207555
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
CID 166849692
tert-butyl N-[(3S,4R)-3-hydroxy-1,1-dioxothian-4-yl]carbamate
CID 178017060

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate?
The IUPAC name of tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate (CID 21362532) is tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate is CC(C)(C)OC(=O)NC1CS(=O)(=O)NCC1C=O.
What is the InChIKey of tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate?
The InChIKey is BGFDSACHFLKSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-10(2,3)17-9(14)12-8-6-18(15,16)11-4-7(8)5-13/h5,7-8,11H,4,6H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate?
tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate has a molecular weight of 278.33 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-formyl-1,1-dioxothiazinan-5-yl)carbamate is sourced from PubChem (CID 21362532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).