(3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide

C15H15N3O6S — CID 135817876

IUPAC(3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H15N3O6S/c19-14(8-1-4-25(21,22)7-8)18-17-13-9-5-11-12(24-3-2-23-11)6-10(9)16-15(13)20/h5-6,8,16,20H,1-4,7H2/b18-17+/t8-/m1/s1
InChIKeyMYEOVMPHDGKXOH-MJABNSBKSA-N
MW365.37 g/mol
LogP1.69
Rot. Bonds2

About (3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide

(3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide (PubChem CID 135817876) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is (3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide
PubChem CID135817876
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name(3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H15N3O6S/c19-14(8-1-4-25(21,22)7-8)18-17-13-9-5-11-12(24-3-2-23-11)6-10(9)16-15(13)20/h5-6,8,16,20H,1-4,7H2/b18-17+/t8-/m1/s1
InChIKeyMYEOVMPHDGKXOH-MJABNSBKSA-N
XLogP1.69
TPSA130.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide (CID 135817876) is (3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide is O=C(/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is MYEOVMPHDGKXOH-MJABNSBKSA-N. The full InChI is InChI=1S/C15H15N3O6S/c19-14(8-1-4-25(21,22)7-8)18-17-13-9-5-11-12(24-3-2-23-11)6-10(9)16-15(13)20/h5-6,8,16,20H,1-4,7H2/b18-17+/t8-/m1/s1.
What are the key properties of (3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide?
(3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 135817876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).