4-methylsulfanyl-1,1-dioxothiolan-3-amine

C5H11NO2S2 — CID 43827592

IUPAC4-methylsulfanyl-1,1-dioxothiolan-3-amine
SMILESCSC1CS(=O)(=O)CC1N
InChIInChI=1S/C5H11NO2S2/c1-9-5-3-10(7,8)2-4(5)6/h4-5H,2-3,6H2,1H3
InChIKeyBIEDUDYYTIJAHA-UHFFFAOYSA-N
MW181.28 g/mol
LogP-0.53
Rot. Bonds1

About 4-methylsulfanyl-1,1-dioxothiolan-3-amine

4-methylsulfanyl-1,1-dioxothiolan-3-amine (PubChem CID 43827592) has the molecular formula C5H11NO2S2 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methylsulfanyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name4-methylsulfanyl-1,1-dioxothiolan-3-amine
PubChem CID43827592
Molecular FormulaC5H11NO2S2
Molecular Weight181.28 g/mol
Exact Mass181.02
IUPAC Name4-methylsulfanyl-1,1-dioxothiolan-3-amine
SMILESCSC1CS(=O)(=O)CC1N
InChIInChI=1S/C5H11NO2S2/c1-9-5-3-10(7,8)2-4(5)6/h4-5H,2-3,6H2,1H3
InChIKeyBIEDUDYYTIJAHA-UHFFFAOYSA-N
XLogP-0.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1,1-dioxothiolan-3-amine?
The IUPAC name of 4-methylsulfanyl-1,1-dioxothiolan-3-amine (CID 43827592) is 4-methylsulfanyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 4-methylsulfanyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for 4-methylsulfanyl-1,1-dioxothiolan-3-amine is CSC1CS(=O)(=O)CC1N.
What is the InChIKey of 4-methylsulfanyl-1,1-dioxothiolan-3-amine?
The InChIKey is BIEDUDYYTIJAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S2/c1-9-5-3-10(7,8)2-4(5)6/h4-5H,2-3,6H2,1H3.
What are the key properties of 4-methylsulfanyl-1,1-dioxothiolan-3-amine?
4-methylsulfanyl-1,1-dioxothiolan-3-amine has a molecular weight of 181.28 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43827592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).