N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide

C14H22N2O3S — CID 115323924

IUPACN-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC2CNCCO2)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)12-3-5-14(6-4-12)20(17,18)16-10-13-9-15-7-8-19-13/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeyBSRHXBSBBQDJGK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.08
Rot. Bonds5

About N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide

N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 115323924) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID115323924
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC2CNCCO2)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)12-3-5-14(6-4-12)20(17,18)16-10-13-9-15-7-8-19-13/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeyBSRHXBSBBQDJGK-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide
CID 115324014
3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323988
2-(4-propan-2-ylphenyl)sulfonylmorpholine
CID 117037126
4-nitro-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
CID 165494024
N-[[(2S)-morpholin-2-yl]methyl]methanesulfonamide
CID 93215764
2-morpholin-2-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686106
2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323952
4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 106999010
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
4-fluoro-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 97180789
5-bromo-4-chloro-N-(morpholin-2-ylmethyl)thiophene-2-sulfonamide
CID 115323934
4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 116527974

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide (CID 115323924) is N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCC2CNCCO2)cc1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is BSRHXBSBBQDJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)12-3-5-14(6-4-12)20(17,18)16-10-13-9-15-7-8-19-13/h3-6,11,13,15-16H,7-10H2,1-2H3.
What are the key properties of N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide?
N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 115323924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).