CID 161366096

C15H24FN3O6S2 — CID 161366096

IUPAC—
SMILESCN1C(NC(=O)OC(C)(C)C)=N[C@](C)(c2sc(C(=O)O)cc2F)CS1(=O)=O.[2H][2H].[2H][2H]
InChIInChI=1S/C15H20FN3O6S2.2H2/c1-14(2,3)25-13(22)17-12-18-15(4,7-27(23,24)19(12)5)10-8(16)6-9(26-10)11(20)21;;/h6H,7H2,1-5H3,(H,20,21)(H,17,18,22);2*1H/t15-;;/m0../s1/i;2*1+1D
InChIKeyVPVFNTLHRPHASX-DESIDLGXSA-N
MW429.53 g/mol
LogP2.45
Rot. Bonds2

About CID 161366096

CID 161366096 (PubChem CID 161366096) has the molecular formula C15H24FN3O6S2 and a molecular weight of 429.53 g/mol.

Molecular Properties

Compound NameCID 161366096
PubChem CID161366096
Molecular FormulaC15H24FN3O6S2
Molecular Weight429.53 g/mol
Exact Mass429.13
IUPAC Name—
SMILESCN1C(NC(=O)OC(C)(C)C)=N[C@](C)(c2sc(C(=O)O)cc2F)CS1(=O)=O.[2H][2H].[2H][2H]
InChIInChI=1S/C15H20FN3O6S2.2H2/c1-14(2,3)25-13(22)17-12-18-15(4,7-27(23,24)19(12)5)10-8(16)6-9(26-10)11(20)21;;/h6H,7H2,1-5H3,(H,20,21)(H,17,18,22);2*1H/t15-;;/m0../s1/i;2*1+1D
InChIKeyVPVFNTLHRPHASX-DESIDLGXSA-N
XLogP2.45
TPSA125.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 161366096?
The IUPAC name of CID 161366096 (CID 161366096) is not available.
What is the SMILES notation for CID 161366096?
The canonical SMILES for CID 161366096 is CN1C(NC(=O)OC(C)(C)C)=N[C@](C)(c2sc(C(=O)O)cc2F)CS1(=O)=O.[2H][2H].[2H][2H].
What is the InChIKey of CID 161366096?
The InChIKey is VPVFNTLHRPHASX-DESIDLGXSA-N. The full InChI is InChI=1S/C15H20FN3O6S2.2H2/c1-14(2,3)25-13(22)17-12-18-15(4,7-27(23,24)19(12)5)10-8(16)6-9(26-10)11(20)21;;/h6H,7H2,1-5H3,(H,20,21)(H,17,18,22);2*1H/t15-;;/m0../s1/i;2*1+1D.
What are the key properties of CID 161366096?
CID 161366096 has a molecular weight of 429.53 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161366096 is sourced from PubChem (CID 161366096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).