1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide

C14H22N2O5S2 — CID 110287654

IUPAC1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H22N2O5S2/c1-13-3-2-4-14(11-13)12-22(17,18)15-5-10-23(19,20)16-6-8-21-9-7-16/h2-4,11,15H,5-10,12H2,1H3
InChIKeyPNTPDTRXVPJWHG-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.08
Rot. Bonds7

About 1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide

1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide (PubChem CID 110287654) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide
PubChem CID110287654
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC Name1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H22N2O5S2/c1-13-3-2-4-14(11-13)12-22(17,18)15-5-10-23(19,20)16-6-8-21-9-7-16/h2-4,11,15H,5-10,12H2,1H3
InChIKeyPNTPDTRXVPJWHG-UHFFFAOYSA-N
XLogP0.08
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285240
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
4-[6-methyl-2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122333660
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110729947
N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
CID 110421112
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344503
3-(morpholin-4-ylsulfonylmethyl)aniline
CID 43255619
3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345563
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
CID 7188820
1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide
CID 110363643

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide (CID 110287654) is 1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)NCCS(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide?
The InChIKey is PNTPDTRXVPJWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-13-3-2-4-14(11-13)12-22(17,18)15-5-10-23(19,20)16-6-8-21-9-7-16/h2-4,11,15H,5-10,12H2,1H3.
What are the key properties of 1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide?
1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide is sourced from PubChem (CID 110287654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).