6-methyl-1,1-dioxothian-3-amine

C6H13NO2S — CID 59657884

IUPAC6-methyl-1,1-dioxothian-3-amine
SMILESCC1CCC(N)CS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-2-3-6(7)4-10(5,8)9/h5-6H,2-4,7H2,1H3
InChIKeyHPJWOPXIVHCKHO-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.09
Rot. Bonds

About 6-methyl-1,1-dioxothian-3-amine

6-methyl-1,1-dioxothian-3-amine (PubChem CID 59657884) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 6-methyl-1,1-dioxothian-3-amine.

Molecular Properties

Compound Name6-methyl-1,1-dioxothian-3-amine
PubChem CID59657884
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name6-methyl-1,1-dioxothian-3-amine
SMILESCC1CCC(N)CS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-2-3-6(7)4-10(5,8)9/h5-6H,2-4,7H2,1H3
InChIKeyHPJWOPXIVHCKHO-UHFFFAOYSA-N
XLogP-0.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxothian-3-amine?
The IUPAC name of 6-methyl-1,1-dioxothian-3-amine (CID 59657884) is 6-methyl-1,1-dioxothian-3-amine.
What is the SMILES notation for 6-methyl-1,1-dioxothian-3-amine?
The canonical SMILES for 6-methyl-1,1-dioxothian-3-amine is CC1CCC(N)CS1(=O)=O.
What is the InChIKey of 6-methyl-1,1-dioxothian-3-amine?
The InChIKey is HPJWOPXIVHCKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5-2-3-6(7)4-10(5,8)9/h5-6H,2-4,7H2,1H3.
What are the key properties of 6-methyl-1,1-dioxothian-3-amine?
6-methyl-1,1-dioxothian-3-amine has a molecular weight of 163.24 g/mol, XLogP of -0.09, 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-dioxothian-3-amine is sourced from PubChem (CID 59657884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).