4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine

C12H25N3O2S — CID 171536639

IUPAC4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1(CN2CC(C)(C)NS2(=O)=O)CCC(N)CC1
InChIInChI=1S/C12H25N3O2S/c1-11(2)8-15(18(16,17)14-11)9-12(3)6-4-10(13)5-7-12/h10,14H,4-9,13H2,1-3H3
InChIKeyISYQVHDXSVAUPE-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.82
Rot. Bonds2

About 4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine

4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 171536639) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine
PubChem CID171536639
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1(CN2CC(C)(C)NS2(=O)=O)CCC(N)CC1
InChIInChI=1S/C12H25N3O2S/c1-11(2)8-15(18(16,17)14-11)9-12(3)6-4-10(13)5-7-12/h10,14H,4-9,13H2,1-3H3
InChIKeyISYQVHDXSVAUPE-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine (CID 171536639) is 4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine is CC1(CN2CC(C)(C)NS2(=O)=O)CCC(N)CC1.
What is the InChIKey of 4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is ISYQVHDXSVAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11(2)8-15(18(16,17)14-11)9-12(3)6-4-10(13)5-7-12/h10,14H,4-9,13H2,1-3H3.
What are the key properties of 4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine?
4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 171536639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).