3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine

C11H18N2O3S — CID 62694102

IUPAC3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine
SMILESCc1occc1CN(C)C1CS(=O)(=O)CC1N
InChIInChI=1S/C11H18N2O3S/c1-8-9(3-4-16-8)5-13(2)11-7-17(14,15)6-10(11)12/h3-4,10-11H,5-7,12H2,1-2H3
InChIKeyHUCBXFYCMXCUNT-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.14
Rot. Bonds3

About 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine

3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine (PubChem CID 62694102) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine
PubChem CID62694102
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine
SMILESCc1occc1CN(C)C1CS(=O)(=O)CC1N
InChIInChI=1S/C11H18N2O3S/c1-8-9(3-4-16-8)5-13(2)11-7-17(14,15)6-10(11)12/h3-4,10-11H,5-7,12H2,1-2H3
InChIKeyHUCBXFYCMXCUNT-UHFFFAOYSA-N
XLogP0.14
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine?
The IUPAC name of 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine (CID 62694102) is 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine is Cc1occc1CN(C)C1CS(=O)(=O)CC1N.
What is the InChIKey of 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine?
The InChIKey is HUCBXFYCMXCUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-9(3-4-16-8)5-13(2)11-7-17(14,15)6-10(11)12/h3-4,10-11H,5-7,12H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine?
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine has a molecular weight of 258.34 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1,1-dioxothiolane-3,4-diamine is sourced from PubChem (CID 62694102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).