5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine

C14H21NO2S — CID 43539087

IUPAC5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc(C)c2c1C(NC(C)C)CCS2(=O)=O
InChIInChI=1S/C14H21NO2S/c1-9(2)15-12-7-8-18(16,17)14-11(4)6-5-10(3)13(12)14/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyGKOXDPNZEZCVLH-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.52
Rot. Bonds2

About 5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine

5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43539087) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43539087
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc(C)c2c1C(NC(C)C)CCS2(=O)=O
InChIInChI=1S/C14H21NO2S/c1-9(2)15-12-7-8-18(16,17)14-11(4)6-5-10(3)13(12)14/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyGKOXDPNZEZCVLH-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (CID 43539087) is 5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is Cc1ccc(C)c2c1C(NC(C)C)CCS2(=O)=O.
What is the InChIKey of 5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is GKOXDPNZEZCVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9(2)15-12-7-8-18(16,17)14-11(4)6-5-10(3)13(12)14/h5-6,9,12,15H,7-8H2,1-4H3.
What are the key properties of 5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 267.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43539087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).