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

C11H14ClNO2S — CID 43538964

IUPAC6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1CC(C)S(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO2S/c1-7-5-10(13-2)9-6-8(12)3-4-11(9)16(7,14)15/h3-4,6-7,10,13H,5H2,1-2H3
InChIKeyFAUFXVUTKNVLJW-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.17
Rot. Bonds1

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

6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43538964) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43538964
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1CC(C)S(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO2S/c1-7-5-10(13-2)9-6-8(12)3-4-11(9)16(7,14)15/h3-4,6-7,10,13H,5H2,1-2H3
InChIKeyFAUFXVUTKNVLJW-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538849
6-bromo-N-cyclopropyl-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43539638
6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539522
7-chloro-N,3-dimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82889820
(2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
CID 6925766
6-fluoro-2-methyl-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539052
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
6-chloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538948
6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711207
N-[(4R)-6-chloro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 97001559
N-(6-chloro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethylbenzenesulfonamide
CID 71850843
5-chloro-2-ethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
CID 16656057

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 43538964) is 6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is CNC1CC(C)S(=O)(=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is FAUFXVUTKNVLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-7-5-10(13-2)9-6-8(12)3-4-11(9)16(7,14)15/h3-4,6-7,10,13H,5H2,1-2H3.
What are the key properties of 6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 259.76 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43538964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).