N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide

C10H22N2O3S — CID 114501631

IUPACN,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C10H22N2O3S/c1-4-11(5-2)16(14,15)12-7-6-10(13)9(3)8-12/h9-10,13H,4-8H2,1-3H3
InChIKeyNQBXZVGDTPGZIU-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.28
Rot. Bonds4

About N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide

N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide (PubChem CID 114501631) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
PubChem CID114501631
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C10H22N2O3S/c1-4-11(5-2)16(14,15)12-7-6-10(13)9(3)8-12/h9-10,13H,4-8H2,1-3H3
InChIKeyNQBXZVGDTPGZIU-UHFFFAOYSA-N
XLogP0.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide (CID 114501631) is N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(O)C(C)C1.
What is the InChIKey of N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide?
The InChIKey is NQBXZVGDTPGZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-4-11(5-2)16(14,15)12-7-6-10(13)9(3)8-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide?
N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 114501631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).