6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine

C6H11NO2S — CID 89357465

IUPAC6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine
SMILESCC1=CCC(N)CS1(=O)=O
InChIInChI=1S/C6H11NO2S/c1-5-2-3-6(7)4-10(5,8)9/h2,6H,3-4,7H2,1H3
InChIKeySHGACMUWEXKEOI-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.04
Rot. Bonds

About 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine

6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine (PubChem CID 89357465) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine.

Molecular Properties

Compound Name6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine
PubChem CID89357465
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine
SMILESCC1=CCC(N)CS1(=O)=O
InChIInChI=1S/C6H11NO2S/c1-5-2-3-6(7)4-10(5,8)9/h2,6H,3-4,7H2,1H3
InChIKeySHGACMUWEXKEOI-UHFFFAOYSA-N
XLogP0.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine with MolForge

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Related Compounds

(4S)-4-aminocyclopentene-1-carboxylic acid;hydrochloride
CID 155905079
4-aminocyclopentene-1-carboxylic acid;hydrochloride
CID 12645057
(3S)-5,5-dioxo-3,4-dihydro-2H-1,5λ6-benzoxathiepin-3-amine
CID 124710328
3-methyl-5H-oxathiole 2,2-dioxide
CID 3913396
3,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84624941
(1,1-dioxothiolan-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 64906184
4-methoxycyclohepta-3,5-dien-1-amine
CID 163813250
2-(1,1-dioxo-7-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
CID 84643266
1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-4-amine;ethane
CID 142226253
(4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 93344706
(2R,6S)-2,6-dimethyl-1,1-dioxothian-4-one
CID 94034660
4-fluoro-2-methylcyclohexa-2,4-dien-1-amine
CID 147363508

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine?
The IUPAC name of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine (CID 89357465) is 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine.
What is the SMILES notation for 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine?
The canonical SMILES for 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine is CC1=CCC(N)CS1(=O)=O.
What is the InChIKey of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine?
The InChIKey is SHGACMUWEXKEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-5-2-3-6(7)4-10(5,8)9/h2,6H,3-4,7H2,1H3.
What are the key properties of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine?
6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine has a molecular weight of 161.23 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine is sourced from PubChem (CID 89357465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).