3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide

C10H22N2O3S — CID 114809965

IUPAC3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(O)C(CC)C1
InChIInChI=1S/C10H22N2O3S/c1-3-6-11-16(14,15)12-7-5-10(13)9(4-2)8-12/h9-11,13H,3-8H2,1-2H3
InChIKeyKMCMNUJQLVPREG-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.32
Rot. Bonds5

About 3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide

3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide (PubChem CID 114809965) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide
PubChem CID114809965
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(O)C(CC)C1
InChIInChI=1S/C10H22N2O3S/c1-3-6-11-16(14,15)12-7-5-10(13)9(4-2)8-12/h9-11,13H,3-8H2,1-2H3
InChIKeyKMCMNUJQLVPREG-UHFFFAOYSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide?
The IUPAC name of 3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide (CID 114809965) is 3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for 3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide is CCCNS(=O)(=O)N1CCC(O)C(CC)C1.
What is the InChIKey of 3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide?
The InChIKey is KMCMNUJQLVPREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-6-11-16(14,15)12-7-5-10(13)9(4-2)8-12/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide?
3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 114809965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).