N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide

C17H22N2O2S — CID 52534323

IUPACN-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
SMILESCCN1CCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2O2S/c1-2-19-11-5-8-16(13-19)18-22(20,21)17-10-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,9-10,12,16,18H,2,5,8,11,13H2,1H3/t16-/m0/s1
InChIKeyBQEFHSDNWUBJJH-INIZCTEOSA-N
MW318.44 g/mol
LogP2.60
Rot. Bonds4

About N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide

N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 52534323) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
PubChem CID52534323
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
SMILESCCN1CCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2O2S/c1-2-19-11-5-8-16(13-19)18-22(20,21)17-10-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,9-10,12,16,18H,2,5,8,11,13H2,1H3/t16-/m0/s1
InChIKeyBQEFHSDNWUBJJH-INIZCTEOSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide (CID 52534323) is N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide is CCN1CCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is BQEFHSDNWUBJJH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-2-19-11-5-8-16(13-19)18-22(20,21)17-10-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,9-10,12,16,18H,2,5,8,11,13H2,1H3/t16-/m0/s1.
What are the key properties of N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide?
N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 52534323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).