cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate

C18H24N2O6S — CID 59692324

IUPACcis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate
SMILESC[C@H]1C(c2ccccc2)[C@]1(NS(=O)(=O)N1CCOC1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N2O6S/c1-12-14(13-8-6-5-7-9-13)18(12,15(21)26-17(2,3)4)19-27(23,24)20-10-11-25-16(20)22/h5-9,12,14,19H,10-11H2,1-4H3/t12-,14?,18-/m0/s1
InChIKeyDXRBOBCNZZVAQU-PKZGSEHASA-N
MW396.47 g/mol
LogP1.79
Rot. Bonds5

About cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate

cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate (PubChem CID 59692324) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate
PubChem CID59692324
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Namecis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate
SMILESC[C@H]1C(c2ccccc2)[C@]1(NS(=O)(=O)N1CCOC1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N2O6S/c1-12-14(13-8-6-5-7-9-13)18(12,15(21)26-17(2,3)4)19-27(23,24)20-10-11-25-16(20)22/h5-9,12,14,19H,10-11H2,1-4H3/t12-,14?,18-/m0/s1
InChIKeyDXRBOBCNZZVAQU-PKZGSEHASA-N
XLogP1.79
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate?
The IUPAC name of cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate (CID 59692324) is cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate is C[C@H]1C(c2ccccc2)[C@]1(NS(=O)(=O)N1CCOC1=O)C(=O)OC(C)(C)C.
What is the InChIKey of cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate?
The InChIKey is DXRBOBCNZZVAQU-PKZGSEHASA-N. The full InChI is InChI=1S/C18H24N2O6S/c1-12-14(13-8-6-5-7-9-13)18(12,15(21)26-17(2,3)4)19-27(23,24)20-10-11-25-16(20)22/h5-9,12,14,19H,10-11H2,1-4H3/t12-,14?,18-/m0/s1.
What are the key properties of cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate?
cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate has a molecular weight of 396.47 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-tert-butyl (1S,2S)-2-methyl-1-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylamino]-3-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 59692324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).