(NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine

C19H21NO4S2 — CID 86748006

IUPAC(NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine
SMILESCC1(C)OCC(C)(c2csc(Sc3ccc4c(c3)OCC/C4=N/O)c2)O1
InChIInChI=1S/C19H21NO4S2/c1-18(2)23-11-19(3,24-18)12-8-17(25-10-12)26-13-4-5-14-15(20-21)6-7-22-16(14)9-13/h4-5,8-10,21H,6-7,11H2,1-3H3/b20-15-
InChIKeyWVMMPVXEPIYZPV-HKWRFOASSA-N
MW391.51 g/mol
LogP4.86
Rot. Bonds3

About (NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine

(NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine (PubChem CID 86748006) has the molecular formula C19H21NO4S2 and a molecular weight of 391.51 g/mol. Its IUPAC name is (NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine
PubChem CID86748006
Molecular FormulaC19H21NO4S2
Molecular Weight391.51 g/mol
Exact Mass391.09
IUPAC Name(NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine
SMILESCC1(C)OCC(C)(c2csc(Sc3ccc4c(c3)OCC/C4=N/O)c2)O1
InChIInChI=1S/C19H21NO4S2/c1-18(2)23-11-19(3,24-18)12-8-17(25-10-12)26-13-4-5-14-15(20-21)6-7-22-16(14)9-13/h4-5,8-10,21H,6-7,11H2,1-3H3/b20-15-
InChIKeyWVMMPVXEPIYZPV-HKWRFOASSA-N
XLogP4.86
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine (CID 86748006) is (NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine is CC1(C)OCC(C)(c2csc(Sc3ccc4c(c3)OCC/C4=N/O)c2)O1.
What is the InChIKey of (NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine?
The InChIKey is WVMMPVXEPIYZPV-HKWRFOASSA-N. The full InChI is InChI=1S/C19H21NO4S2/c1-18(2)23-11-19(3,24-18)12-8-17(25-10-12)26-13-4-5-14-15(20-21)6-7-22-16(14)9-13/h4-5,8-10,21H,6-7,11H2,1-3H3/b20-15-.
What are the key properties of (NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine?
(NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine has a molecular weight of 391.51 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[7-[4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thiophen-2-yl]sulfanyl-2,3-dihydrochromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 86748006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).