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

C15H21NO3S — CID 79413855

IUPACN-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCOc1ccc2c(c1)C(NC1CC1)C(C)C(C)S2(=O)=O
InChIInChI=1S/C15H21NO3S/c1-9-10(2)20(17,18)14-7-6-12(19-3)8-13(14)15(9)16-11-4-5-11/h6-11,15-16H,4-5H2,1-3H3
InChIKeyCXWHAFDBDKGVIQ-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.30
Rot. Bonds3

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

N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 79413855) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID79413855
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCOc1ccc2c(c1)C(NC1CC1)C(C)C(C)S2(=O)=O
InChIInChI=1S/C15H21NO3S/c1-9-10(2)20(17,18)14-7-6-12(19-3)8-13(14)15(9)16-11-4-5-11/h6-11,15-16H,4-5H2,1-3H3
InChIKeyCXWHAFDBDKGVIQ-UHFFFAOYSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 79413855) is N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is COc1ccc2c(c1)C(NC1CC1)C(C)C(C)S2(=O)=O.
What is the InChIKey of N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is CXWHAFDBDKGVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-9-10(2)20(17,18)14-7-6-12(19-3)8-13(14)15(9)16-11-4-5-11/h6-11,15-16H,4-5H2,1-3H3.
What are the key properties of N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 295.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 79413855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).