N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide

C10H22N2O2S — CID 79717302

IUPACN-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)CC1CCNCC1
InChIInChI=1S/C10H22N2O2S/c1-9(2)15(13,14)12(3)8-10-4-6-11-7-5-10/h9-11H,4-8H2,1-3H3
InChIKeyNBPGVURZZICMIZ-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.66
Rot. Bonds4

About N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide

N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide (PubChem CID 79717302) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
PubChem CID79717302
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)CC1CCNCC1
InChIInChI=1S/C10H22N2O2S/c1-9(2)15(13,14)12(3)8-10-4-6-11-7-5-10/h9-11H,4-8H2,1-3H3
InChIKeyNBPGVURZZICMIZ-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide (CID 79717302) is N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(C)CC1CCNCC1.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide?
The InChIKey is NBPGVURZZICMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)15(13,14)12(3)8-10-4-6-11-7-5-10/h9-11H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide?
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 79717302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).