4,4-dimethyl-1,1-dioxothian-3-amine

C7H15NO2S — CID 59657908

IUPAC4,4-dimethyl-1,1-dioxothian-3-amine
SMILESCC1(C)CCS(=O)(=O)CC1N
InChIInChI=1S/C7H15NO2S/c1-7(2)3-4-11(9,10)5-6(7)8/h6H,3-5,8H2,1-2H3
InChIKeyCGAXROCUFICHEP-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.16
Rot. Bonds

About 4,4-dimethyl-1,1-dioxothian-3-amine

4,4-dimethyl-1,1-dioxothian-3-amine (PubChem CID 59657908) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4,4-dimethyl-1,1-dioxothian-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-1,1-dioxothian-3-amine
PubChem CID59657908
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4,4-dimethyl-1,1-dioxothian-3-amine
SMILESCC1(C)CCS(=O)(=O)CC1N
InChIInChI=1S/C7H15NO2S/c1-7(2)3-4-11(9,10)5-6(7)8/h6H,3-5,8H2,1-2H3
InChIKeyCGAXROCUFICHEP-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1$l^{6}-thiane-1,1-dione
CID 14024577
1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methanamine hydrochloride
CID 47000751
4-(Aminomethyl)-1lambda~6~-thiane-1,1-dione
CID 47000752
4-Amino-2-methyl-1lambda6-thiane-1,1-dione hydrochloride
CID 132313727
1-Amino-6lambda6-thiaspiro(2.5)octane-6,6-dione hydrochloride
CID 134828352
4-(Aminomethyl)-4-methyl-1lambda6-thiane-1,1-dione hydrochloride
CID 137964749
(R)-3-Aminotetrahydro-2H-thiopyran 1,1-dioxide
CID 52420765
5-Amino-2-methyl-1lambda6-thiane-1,1-dione
CID 59657884
4-Amino-2-methyl-1lambda6-thiane-1,1-dione
CID 59657963
4-Amino-2,6-dimethyl-1lambda6-thiane-1,1-dione
CID 131307266
1-Amino-6lambda6-thiaspiro[2.5]octane-6,6-dione
CID 62389724
4-(Aminomethyl)-4-methyl-1lambda6-thiane-1,1-dione
CID 84767493

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,1-dioxothian-3-amine?
The IUPAC name of 4,4-dimethyl-1,1-dioxothian-3-amine (CID 59657908) is 4,4-dimethyl-1,1-dioxothian-3-amine.
What is the SMILES notation for 4,4-dimethyl-1,1-dioxothian-3-amine?
The canonical SMILES for 4,4-dimethyl-1,1-dioxothian-3-amine is CC1(C)CCS(=O)(=O)CC1N.
What is the InChIKey of 4,4-dimethyl-1,1-dioxothian-3-amine?
The InChIKey is CGAXROCUFICHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2)3-4-11(9,10)5-6(7)8/h6H,3-5,8H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,1-dioxothian-3-amine?
4,4-dimethyl-1,1-dioxothian-3-amine has a molecular weight of 177.27 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,1-dioxothian-3-amine is sourced from PubChem (CID 59657908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).