2,6-dimethyl-1,1-dioxothian-4-amine

C7H15NO2S — CID 131307266

IUPAC2,6-dimethyl-1,1-dioxothian-4-amine
SMILESCC1CC(N)CC(C)S1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-5-3-7(8)4-6(2)11(5,9)10/h5-7H,3-4,8H2,1-2H3
InChIKeyOSNCVSWVSAREMP-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.30
Rot. Bonds

About 2,6-dimethyl-1,1-dioxothian-4-amine

2,6-dimethyl-1,1-dioxothian-4-amine (PubChem CID 131307266) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2,6-dimethyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-1,1-dioxothian-4-amine
PubChem CID131307266
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2,6-dimethyl-1,1-dioxothian-4-amine
SMILESCC1CC(N)CC(C)S1(=O)=O
InChIInChI=1S/C7H15NO2S/c1-5-3-7(8)4-6(2)11(5,9)10/h5-7H,3-4,8H2,1-2H3
InChIKeyOSNCVSWVSAREMP-UHFFFAOYSA-N
XLogP0.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1lambda6-thiane-1,1-dione hydrochloride
CID 518319
3-Amino-1$l^{6}-thiane-1,1-dione
CID 14024577
2H-Thiopyran-4-amine, tetrahydro-, 1,1-dioxide
CID 418808
3-aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride
CID 54592845
4-Amino-2-methyl-1lambda6-thiane-1,1-dione hydrochloride
CID 132313727
2-(Aminomethyl)-1lambda6-thiane-1,1-dione hydrochloride
CID 75426337
5-Amino-2-methyl-1lambda6-thiane-1,1-dione hydrochloride
CID 122164104
4-Amino-2,6-dimethyl-1lambda6-thiane-1,1-dione hydrochloride
CID 165948254
(R)-3-Aminotetrahydro-2H-thiopyran 1,1-dioxide
CID 52420765
3-Methanesulfonylcyclohexan-1-amine
CID 14615349
4-Methanesulfonylcyclohexan-1-amine
CID 24689381
5-Amino-2-methyl-1lambda6-thiane-1,1-dione
CID 59657884

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,1-dioxothian-4-amine?
The IUPAC name of 2,6-dimethyl-1,1-dioxothian-4-amine (CID 131307266) is 2,6-dimethyl-1,1-dioxothian-4-amine.
What is the SMILES notation for 2,6-dimethyl-1,1-dioxothian-4-amine?
The canonical SMILES for 2,6-dimethyl-1,1-dioxothian-4-amine is CC1CC(N)CC(C)S1(=O)=O.
What is the InChIKey of 2,6-dimethyl-1,1-dioxothian-4-amine?
The InChIKey is OSNCVSWVSAREMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-5-3-7(8)4-6(2)11(5,9)10/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,1-dioxothian-4-amine?
2,6-dimethyl-1,1-dioxothian-4-amine has a molecular weight of 177.27 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 131307266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).