1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide

C13H26N2O4S2 — CID 100613768

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide
SMILESCC1CCN(CCNS(=O)(=O)C[C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H26N2O4S2/c1-12-2-6-15(7-3-12)8-5-14-21(18,19)11-13-4-9-20(16,17)10-13/h12-14H,2-11H2,1H3/t13-/m1/s1
InChIKeyZAKOROUHCCNTSO-CYBMUJFWSA-N
MW338.50 g/mol
LogP0.07
Rot. Bonds6

About 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide

1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide (PubChem CID 100613768) has the molecular formula C13H26N2O4S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide
PubChem CID100613768
Molecular FormulaC13H26N2O4S2
Molecular Weight338.50 g/mol
Exact Mass338.13
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide
SMILESCC1CCN(CCNS(=O)(=O)C[C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H26N2O4S2/c1-12-2-6-15(7-3-12)8-5-14-21(18,19)11-13-4-9-20(16,17)10-13/h12-14H,2-11H2,1H3/t13-/m1/s1
InChIKeyZAKOROUHCCNTSO-CYBMUJFWSA-N
XLogP0.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide with MolForge

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Related Compounds

1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 94194365
3-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]propane-1-sulfonamide
CID 61241657
(3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 94119516
3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid
CID 61241260
N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide
CID 119908725
N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 55089467
N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide
CID 111111504
1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
CID 86706430
3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid
CID 43362077
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 62131099
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 47034943
5-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole-2-thione
CID 9193597

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide (CID 100613768) is 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide is CC1CCN(CCNS(=O)(=O)C[C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide?
The InChIKey is ZAKOROUHCCNTSO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H26N2O4S2/c1-12-2-6-15(7-3-12)8-5-14-21(18,19)11-13-4-9-20(16,17)10-13/h12-14H,2-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide?
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide has a molecular weight of 338.50 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 100613768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).