N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide

C15H28N2O3S — CID 95281956

IUPACN-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-15(2,3)9-14(18)16-12-10-21(19,20)11-13(12)17-7-5-4-6-8-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13-/m1/s1
InChIKeyLKPGSANFLFUYGH-CHWSQXEVSA-N
MW316.47 g/mol
LogP1.19
Rot. Bonds3

About N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide

N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide (PubChem CID 95281956) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide
PubChem CID95281956
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-15(2,3)9-14(18)16-12-10-21(19,20)11-13(12)17-7-5-4-6-8-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13-/m1/s1
InChIKeyLKPGSANFLFUYGH-CHWSQXEVSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide (CID 95281956) is N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1.
What is the InChIKey of N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide?
The InChIKey is LKPGSANFLFUYGH-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-15(2,3)9-14(18)16-12-10-21(19,20)11-13(12)17-7-5-4-6-8-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide?
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide has a molecular weight of 316.47 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 95281956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).