N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide

C13H21N3O3S — CID 103549161

IUPACN-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC1COCCN1
InChIInChI=1S/C13H21N3O3S/c1-2-16-20(17,18)13-6-4-3-5-12(13)15-9-11-10-19-8-7-14-11/h3-6,11,14-16H,2,7-10H2,1H3
InChIKeyTWLPYPJDPWDBBT-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.39
Rot. Bonds6

About N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide

N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide (PubChem CID 103549161) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide
PubChem CID103549161
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC1COCCN1
InChIInChI=1S/C13H21N3O3S/c1-2-16-20(17,18)13-6-4-3-5-12(13)15-9-11-10-19-8-7-14-11/h3-6,11,14-16H,2,7-10H2,1H3
InChIKeyTWLPYPJDPWDBBT-UHFFFAOYSA-N
XLogP0.39
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[(3S)-morpholin-3-yl]methyl]aniline
CID 99962582
2-(ethylamino)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 55119396
N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 103548867
N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide
CID 66007000
2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548886
2-methyl-N-(morpholin-3-ylmethyl)quinolin-4-amine
CID 103549152
4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103549019
N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695395
2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
CID 80713071
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide
CID 66410475

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide (CID 103549161) is N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCC1COCCN1.
What is the InChIKey of N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide?
The InChIKey is TWLPYPJDPWDBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-16-20(17,18)13-6-4-3-5-12(13)15-9-11-10-19-8-7-14-11/h3-6,11,14-16H,2,7-10H2,1H3.
What are the key properties of N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide?
N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 103549161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).