N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine

C14H22N2O3S — CID 60721221

IUPACN-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-12(2)15-11-13-5-3-4-6-14(13)20(17,18)16-7-9-19-10-8-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyMDMUJRQRVZSDFW-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.21
Rot. Bonds5

About N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine

N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine (PubChem CID 60721221) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
PubChem CID60721221
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-12(2)15-11-13-5-3-4-6-14(13)20(17,18)16-7-9-19-10-8-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyMDMUJRQRVZSDFW-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-2-morpholin-4-ylbutyl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 42954505
4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669040
2-[methyl-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913244
bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
CID 68565404
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582298
6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-(difluoromethoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30955346
2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 121257907
4-[2-[(3-fluoro-3-methylsulfanylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009188
4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 97254906

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine (CID 60721221) is N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine is CC(C)NCc1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
The InChIKey is MDMUJRQRVZSDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12(2)15-11-13-5-3-4-6-14(13)20(17,18)16-7-9-19-10-8-16/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine has a molecular weight of 298.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 60721221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).