6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine

C13H19NO3S — CID 43539369

IUPAC6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCNC1CCS(=O)(=O)c2ccc(OC)cc21
InChIInChI=1S/C13H19NO3S/c1-3-7-14-12-6-8-18(15,16)13-5-4-10(17-2)9-11(12)13/h4-5,9,12,14H,3,6-8H2,1-2H3
InChIKeyDCSZXSILIVRTSR-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.91
Rot. Bonds4

About 6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine

6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43539369) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43539369
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCNC1CCS(=O)(=O)c2ccc(OC)cc21
InChIInChI=1S/C13H19NO3S/c1-3-7-14-12-6-8-18(15,16)13-5-4-10(17-2)9-11(12)13/h4-5,9,12,14H,3,6-8H2,1-2H3
InChIKeyDCSZXSILIVRTSR-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-methyl-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43539367
6-fluoro-1,1-dioxo-N-(3-propoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 82941544
1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43538900
7,8-dimethyl-1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43539215
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82887708
6-fluoro-1,1-dioxo-N-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 104759339
8-fluoro-1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 102972259
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
3',6-dimethoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825146
6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-1-ol
CID 43382134

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (CID 43539369) is 6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is CCCNC1CCS(=O)(=O)c2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is DCSZXSILIVRTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-7-14-12-6-8-18(15,16)13-5-4-10(17-2)9-11(12)13/h4-5,9,12,14H,3,6-8H2,1-2H3.
What are the key properties of 6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 269.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43539369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).