5-butyl-5-methyl-1,1-dioxothiolan-3-amine

C9H19NO2S — CID 91574306

IUPAC5-butyl-5-methyl-1,1-dioxothiolan-3-amine
SMILESCCCCC1(C)CC(N)CS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-3-4-5-9(2)6-8(10)7-13(9,11)12/h8H,3-7,10H2,1-2H3
InChIKeyWMTJAELVXZMUIL-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.08
Rot. Bonds3

About 5-butyl-5-methyl-1,1-dioxothiolan-3-amine

5-butyl-5-methyl-1,1-dioxothiolan-3-amine (PubChem CID 91574306) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 5-butyl-5-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name5-butyl-5-methyl-1,1-dioxothiolan-3-amine
PubChem CID91574306
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name5-butyl-5-methyl-1,1-dioxothiolan-3-amine
SMILESCCCCC1(C)CC(N)CS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-3-4-5-9(2)6-8(10)7-13(9,11)12/h8H,3-7,10H2,1-2H3
InChIKeyWMTJAELVXZMUIL-UHFFFAOYSA-N
XLogP1.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of 5-butyl-5-methyl-1,1-dioxothiolan-3-amine (CID 91574306) is 5-butyl-5-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 5-butyl-5-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for 5-butyl-5-methyl-1,1-dioxothiolan-3-amine is CCCCC1(C)CC(N)CS1(=O)=O.
What is the InChIKey of 5-butyl-5-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is WMTJAELVXZMUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-4-5-9(2)6-8(10)7-13(9,11)12/h8H,3-7,10H2,1-2H3.
What are the key properties of 5-butyl-5-methyl-1,1-dioxothiolan-3-amine?
5-butyl-5-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 205.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 91574306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).