[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C12H22N2O4S — CID 120795296

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1(C)CN(C(=O)[C@@H]2CC[C@H](CN)O2)CCS1(=O)=O
InChIInChI=1S/C12H22N2O4S/c1-12(2)8-14(5-6-19(12,16)17)11(15)10-4-3-9(7-13)18-10/h9-10H,3-8,13H2,1-2H3/t9-,10+/m1/s1
InChIKeyHSXNTRNSQLQSAD-ZJUUUORDSA-N
MW290.39 g/mol
LogP-0.47
Rot. Bonds2

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 120795296) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID120795296
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1(C)CN(C(=O)[C@@H]2CC[C@H](CN)O2)CCS1(=O)=O
InChIInChI=1S/C12H22N2O4S/c1-12(2)8-14(5-6-19(12,16)17)11(15)10-4-3-9(7-13)18-10/h9-10H,3-8,13H2,1-2H3/t9-,10+/m1/s1
InChIKeyHSXNTRNSQLQSAD-ZJUUUORDSA-N
XLogP-0.47
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 120795064
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 120791432
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 120795280
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 120789745
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 120795279
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120795669
[5-(aminomethyl)oxolan-2-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220593
2-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 120800116
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 120785954

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 120795296) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC1(C)CN(C(=O)[C@@H]2CC[C@H](CN)O2)CCS1(=O)=O.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is HSXNTRNSQLQSAD-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-12(2)8-14(5-6-19(12,16)17)11(15)10-4-3-9(7-13)18-10/h9-10H,3-8,13H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 120795296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).