N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide

C10H22N2O2S — CID 155136648

IUPACN-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide
SMILESCC1CNCC(C)C1NS(=O)(=O)C(C)C
InChIInChI=1S/C10H22N2O2S/c1-7(2)15(13,14)12-10-8(3)5-11-6-9(10)4/h7-12H,5-6H2,1-4H3
InChIKeyDYIFECLUYFSFFN-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.56
Rot. Bonds3

About N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide

N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide (PubChem CID 155136648) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide
PubChem CID155136648
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide
SMILESCC1CNCC(C)C1NS(=O)(=O)C(C)C
InChIInChI=1S/C10H22N2O2S/c1-7(2)15(13,14)12-10-8(3)5-11-6-9(10)4/h7-12H,5-6H2,1-4H3
InChIKeyDYIFECLUYFSFFN-UHFFFAOYSA-N
XLogP0.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide?
The IUPAC name of N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide (CID 155136648) is N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide?
The canonical SMILES for N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide is CC1CNCC(C)C1NS(=O)(=O)C(C)C.
What is the InChIKey of N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide?
The InChIKey is DYIFECLUYFSFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-7(2)15(13,14)12-10-8(3)5-11-6-9(10)4/h7-12H,5-6H2,1-4H3.
What are the key properties of N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide?
N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 155136648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).