N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide

C18H24N2O2S — CID 22500529

IUPACN-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide
SMILESCN1CCCCC1CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O2S/c1-20-13-5-4-8-17(20)11-12-19-23(21,22)18-10-9-15-6-2-3-7-16(15)14-18/h2-3,6-7,9-10,14,17,19H,4-5,8,11-13H2,1H3
InChIKeyMBZBMOBZRFIRII-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.99
Rot. Bonds5

About N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide

N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide (PubChem CID 22500529) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide
PubChem CID22500529
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide
SMILESCN1CCCCC1CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O2S/c1-20-13-5-4-8-17(20)11-12-19-23(21,22)18-10-9-15-6-2-3-7-16(15)14-18/h2-3,6-7,9-10,14,17,19H,4-5,8,11-13H2,1H3
InChIKeyMBZBMOBZRFIRII-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 3527050
4-tert-butyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 59344869
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119468452
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;dihydrochloride
CID 56649780
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119633298
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide
CID 139937805
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 168832226
N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide
CID 55925214
N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 56550806

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide (CID 22500529) is N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide is CN1CCCCC1CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is MBZBMOBZRFIRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-20-13-5-4-8-17(20)11-12-19-23(21,22)18-10-9-15-6-2-3-7-16(15)14-18/h2-3,6-7,9-10,14,17,19H,4-5,8,11-13H2,1H3.
What are the key properties of N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide?
N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 332.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 22500529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).