N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide

C16H29N5O2S — CID 45034390

IUPACN-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cnccc1N1CCN(C)CC1
InChIInChI=1S/C16H29N5O2S/c1-4-20(5-2)9-8-18-24(22,23)16-14-17-7-6-15(16)21-12-10-19(3)11-13-21/h6-7,14,18H,4-5,8-13H2,1-3H3
InChIKeyIFKLFUXHIPIWFZ-UHFFFAOYSA-N
MW355.51 g/mol
LogP0.45
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide

N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 45034390) has the molecular formula C16H29N5O2S and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID45034390
Molecular FormulaC16H29N5O2S
Molecular Weight355.51 g/mol
Exact Mass355.20
IUPAC NameN-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cnccc1N1CCN(C)CC1
InChIInChI=1S/C16H29N5O2S/c1-4-20(5-2)9-8-18-24(22,23)16-14-17-7-6-15(16)21-12-10-19(3)11-13-21/h6-7,14,18H,4-5,8-13H2,1-3H3
InChIKeyIFKLFUXHIPIWFZ-UHFFFAOYSA-N
XLogP0.45
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide (CID 45034390) is N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide is CCN(CC)CCNS(=O)(=O)c1cnccc1N1CCN(C)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is IFKLFUXHIPIWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2S/c1-4-20(5-2)9-8-18-24(22,23)16-14-17-7-6-15(16)21-12-10-19(3)11-13-21/h6-7,14,18H,4-5,8-13H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 355.51 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 45034390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).