N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide

C13H17N3O3S — CID 95621715

IUPACN-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CN2CCO[C@@H](C#N)C2)cc1
InChIInChI=1S/C13H17N3O3S/c1-20(17,18)15-12-4-2-11(3-5-12)9-16-6-7-19-13(8-14)10-16/h2-5,13,15H,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyVNHNAUHYVFCBIE-ZDUSSCGKSA-N
MW295.36 g/mol
LogP0.78
Rot. Bonds4

About N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide

N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide (PubChem CID 95621715) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide
PubChem CID95621715
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CN2CCO[C@@H](C#N)C2)cc1
InChIInChI=1S/C13H17N3O3S/c1-20(17,18)15-12-4-2-11(3-5-12)9-16-6-7-19-13(8-14)10-16/h2-5,13,15H,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyVNHNAUHYVFCBIE-ZDUSSCGKSA-N
XLogP0.78
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 105352027
4-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carbonitrile
CID 78946009
4-[(3-amino-4-bromophenyl)methyl]morpholine-2-carbonitrile
CID 113335147
methyl 4-[(2-cyanomorpholin-4-yl)methyl]-2-fluorobenzoate
CID 103749404
4-[(3-bromo-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 78946188
4-benzylmorpholine-2-carbonitrile;[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 157385252
4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile
CID 79674102
4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile
CID 79674868
4-[(2-amino-6-chlorophenyl)methyl]morpholine-2-carbonitrile
CID 79665254
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
6-[(2-cyanomorpholin-4-yl)methyl]pyridine-2-carboxylic acid
CID 106904230
4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile
CID 106993855

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide (CID 95621715) is N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CN2CCO[C@@H](C#N)C2)cc1.
What is the InChIKey of N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is VNHNAUHYVFCBIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-20(17,18)15-12-4-2-11(3-5-12)9-16-6-7-19-13(8-14)10-16/h2-5,13,15H,6-7,9-10H2,1H3/t13-/m0/s1.
What are the key properties of N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide?
N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 95621715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).