tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate

C10H20N2O4S — CID 84807420

IUPACtert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCS(=O)(=O)C(CN)C1
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)12-4-5-17(14,15)8(6-11)7-12/h8H,4-7,11H2,1-3H3
InChIKeyMCLKVQANFMZXJD-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.02
Rot. Bonds1

About tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate

tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate (PubChem CID 84807420) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
PubChem CID84807420
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Nametert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCS(=O)(=O)C(CN)C1
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)12-4-5-17(14,15)8(6-11)7-12/h8H,4-7,11H2,1-3H3
InChIKeyMCLKVQANFMZXJD-UHFFFAOYSA-N
XLogP-0.02
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 23521548
tert-butyl 3-(aminomethyl)-4-cyclopropylpiperidine-1-carboxylate
CID 83919927
tert-butyl 4-(aminomethyl)-3-cyclopropylpiperidine-1-carboxylate
CID 84804780
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl 1,1-dioxo-7-(trifluoromethyl)-1,4-thiazepane-4-carboxylate
CID 172893868
tert-butyl 3-(2-aminoethylsulfanyl)pyrrolidine-1-carboxylate
CID 66564533
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate (CID 84807420) is tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate is CC(C)(C)OC(=O)N1CCS(=O)(=O)C(CN)C1.
What is the InChIKey of tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate?
The InChIKey is MCLKVQANFMZXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)12-4-5-17(14,15)8(6-11)7-12/h8H,4-7,11H2,1-3H3.
What are the key properties of tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate?
tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate has a molecular weight of 264.35 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate is sourced from PubChem (CID 84807420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).