5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine

C9H10N2O2S — CID 152807982

IUPAC5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine
SMILESCC1(N)C=NC=C2C(=C1)C=CS2(=O)=O
InChIInChI=1S/C9H10N2O2S/c1-9(10)4-7-2-3-14(12,13)8(7)5-11-6-9/h2-6H,10H2,1H3
InChIKeySPWJURVTDDWCPB-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.50
Rot. Bonds

About 5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine

5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine (PubChem CID 152807982) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine.

Molecular Properties

Compound Name5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine
PubChem CID152807982
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine
SMILESCC1(N)C=NC=C2C(=C1)C=CS2(=O)=O
InChIInChI=1S/C9H10N2O2S/c1-9(10)4-7-2-3-14(12,13)8(7)5-11-6-9/h2-6H,10H2,1H3
InChIKeySPWJURVTDDWCPB-UHFFFAOYSA-N
XLogP0.50
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Dimethylthieno[2,3-c]azepine 1,1-dioxide
CID 143253572
5,5-Dimethylthieno[2,3-d]azepine 1,1-dioxide
CID 143593377

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine?
The IUPAC name of 5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine (CID 152807982) is 5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine.
What is the SMILES notation for 5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine?
The canonical SMILES for 5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine is CC1(N)C=NC=C2C(=C1)C=CS2(=O)=O.
What is the InChIKey of 5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine?
The InChIKey is SPWJURVTDDWCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-9(10)4-7-2-3-14(12,13)8(7)5-11-6-9/h2-6H,10H2,1H3.
What are the key properties of 5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine?
5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine has a molecular weight of 210.26 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,1-dioxothieno[2,3-c]azepin-5-amine is sourced from PubChem (CID 152807982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).