N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

C12H24N2O4S2 — CID 75427687

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2CCCS2(=O)=O)C1
InChIInChI=1S/C12H24N2O4S2/c1-10-6-11(2)9-14(8-10)20(17,18)13-7-12-4-3-5-19(12,15)16/h10-13H,3-9H2,1-2H3
InChIKeyPJHADRCTVVQZEI-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.38
Rot. Bonds4

About N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 75427687) has the molecular formula C12H24N2O4S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID75427687
Molecular FormulaC12H24N2O4S2
Molecular Weight324.47 g/mol
Exact Mass324.12
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2CCCS2(=O)=O)C1
InChIInChI=1S/C12H24N2O4S2/c1-10-6-11(2)9-14(8-10)20(17,18)13-7-12-4-3-5-19(12,15)16/h10-13H,3-9H2,1-2H3
InChIKeyPJHADRCTVVQZEI-UHFFFAOYSA-N
XLogP0.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (CID 75427687) is N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCC2CCCS2(=O)=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is PJHADRCTVVQZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S2/c1-10-6-11(2)9-14(8-10)20(17,18)13-7-12-4-3-5-19(12,15)16/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 75427687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).