2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide

C15H25N3O2S — CID 106643534

IUPAC2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
SMILESCCN(CC1CCCNC1)c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C15H25N3O2S/c1-3-18(12-13-7-6-10-17-11-13)14-8-4-5-9-15(14)21(19,20)16-2/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3
InChIKeySIYITWDXIIYZTN-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.42
Rot. Bonds6

About 2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide

2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide (PubChem CID 106643534) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
PubChem CID106643534
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
SMILESCCN(CC1CCCNC1)c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C15H25N3O2S/c1-3-18(12-13-7-6-10-17-11-13)14-8-4-5-9-15(14)21(19,20)16-2/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3
InChIKeySIYITWDXIIYZTN-UHFFFAOYSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide
CID 106643533
N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
CID 63636485
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631091
N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide
CID 63301799
4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide
CID 106643519
2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride
CID 120707833
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
CID 79389694
2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide
CID 66215341
N-methyl-2-piperidin-3-yloxybenzenesulfonamide
CID 62348851
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one
CID 106643487

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide (CID 106643534) is 2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide is CCN(CC1CCCNC1)c1ccccc1S(=O)(=O)NC.
What is the InChIKey of 2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is SIYITWDXIIYZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-18(12-13-7-6-10-17-11-13)14-8-4-5-9-15(14)21(19,20)16-2/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide?
2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106643534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).