(4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C10H13NO2S — CID 93344706

IUPAC(4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1cccc2c1S(=O)(=O)CC[C@H]2N
InChIInChI=1S/C10H13NO2S/c1-7-3-2-4-8-9(11)5-6-14(12,13)10(7)8/h2-4,9H,5-6,11H2,1H3/t9-/m1/s1
InChIKeyMRMRUQSFIPICFN-SECBINFHSA-N
MW211.29 g/mol
LogP1.17
Rot. Bonds

About (4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

(4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 93344706) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name(4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID93344706
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1cccc2c1S(=O)(=O)CC[C@H]2N
InChIInChI=1S/C10H13NO2S/c1-7-3-2-4-8-9(11)5-6-14(12,13)10(7)8/h2-4,9H,5-6,11H2,1H3/t9-/m1/s1
InChIKeyMRMRUQSFIPICFN-SECBINFHSA-N
XLogP1.17
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromene-4,8-diamine
CID 131037945
9-fluoro-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43155237
(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261
(4S)-7-bromo-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 131128665
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
3-(2-methylphenyl)-1,1-dioxothian-4-amine
CID 84799838
(4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 28947359
N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43539056
4-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62390706
(4R)-8-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82887712
9-bromo-N-methyl-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43539606
(5R,7R)-5,7-dichloro-1,11-dimethyl-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 98162900

Frequently Asked Questions

What is the IUPAC name of (4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of (4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 93344706) is (4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for (4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for (4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is Cc1cccc2c1S(=O)(=O)CC[C@H]2N.
What is the InChIKey of (4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is MRMRUQSFIPICFN-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-3-2-4-8-9(11)5-6-14(12,13)10(7)8/h2-4,9H,5-6,11H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
(4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 211.29 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 93344706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).