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

C15H21NO2S — CID 79413629

IUPACN-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc2c(c1)C(NC1CC1)C(C)C(C)S2(=O)=O
InChIInChI=1S/C15H21NO2S/c1-9-4-7-14-13(8-9)15(16-12-5-6-12)10(2)11(3)19(14,17)18/h4,7-8,10-12,15-16H,5-6H2,1-3H3
InChIKeyZHYOWLYUYFBFHD-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.60
Rot. Bonds2

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

N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 79413629) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID79413629
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc2c(c1)C(NC1CC1)C(C)C(C)S2(=O)=O
InChIInChI=1S/C15H21NO2S/c1-9-4-7-14-13(8-9)15(16-12-5-6-12)10(2)11(3)19(14,17)18/h4,7-8,10-12,15-16H,5-6H2,1-3H3
InChIKeyZHYOWLYUYFBFHD-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 79413629) is N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is Cc1ccc2c(c1)C(NC1CC1)C(C)C(C)S2(=O)=O.
What is the InChIKey of N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is ZHYOWLYUYFBFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-9-4-7-14-13(8-9)15(16-12-5-6-12)10(2)11(3)19(14,17)18/h4,7-8,10-12,15-16H,5-6H2,1-3H3.
What are the key properties of N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 279.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 79413629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).