1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one

C15H28N2O3S — CID 43747752

IUPAC1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-15(2,3)14(18)17-8-4-12(5-9-17)16-13-6-10-21(19,20)11-7-13/h12-13,16H,4-11H2,1-3H3
InChIKeyZRIQVVYSKDUURA-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.19
Rot. Bonds2

About 1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 43747752) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID43747752
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-15(2,3)14(18)17-8-4-12(5-9-17)16-13-6-10-21(19,20)11-7-13/h12-13,16H,4-11H2,1-3H3
InChIKeyZRIQVVYSKDUURA-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 43747752) is 1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(NC2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ZRIQVVYSKDUURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-15(2,3)14(18)17-8-4-12(5-9-17)16-13-6-10-21(19,20)11-7-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 316.47 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,1-dioxothian-4-yl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 43747752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).