4-methyl-N-propan-2-ylpiperidine-1-sulfonamide

C9H20N2O2S — CID 60728161

IUPAC4-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)10-14(12,13)11-6-4-9(3)5-7-11/h8-10H,4-7H2,1-3H3
InChIKeyJCPIBFUJXWHAOT-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.96
Rot. Bonds3

About 4-methyl-N-propan-2-ylpiperidine-1-sulfonamide

4-methyl-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 60728161) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID60728161
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name4-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)10-14(12,13)11-6-4-9(3)5-7-11/h8-10H,4-7H2,1-3H3
InChIKeyJCPIBFUJXWHAOT-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 4-methyl-N-propan-2-ylpiperidine-1-sulfonamide (CID 60728161) is 4-methyl-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-propan-2-ylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC(C)C)CC1.
What is the InChIKey of 4-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is JCPIBFUJXWHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(2)10-14(12,13)11-6-4-9(3)5-7-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
4-methyl-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 60728161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).