4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide

C17H23N3O3S — CID 129479094

IUPAC4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide
SMILESCN1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C17H23N3O3S/c1-19-8-9-23-16(12-19)13-20(11-15-2-3-15)24(21,22)17-6-4-14(10-18)5-7-17/h4-7,15-16H,2-3,8-9,11-13H2,1H3/t16-/m1/s1
InChIKeyPXPWWIXQQHRNEA-MRXNPFEDSA-N
MW349.46 g/mol
LogP1.29
Rot. Bonds6

About 4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide

4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide (PubChem CID 129479094) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide
PubChem CID129479094
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide
SMILESCN1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C17H23N3O3S/c1-19-8-9-23-16(12-19)13-20(11-15-2-3-15)24(21,22)17-6-4-14(10-18)5-7-17/h4-7,15-16H,2-3,8-9,11-13H2,1H3/t16-/m1/s1
InChIKeyPXPWWIXQQHRNEA-MRXNPFEDSA-N
XLogP1.29
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79702963
N-[4-[methyl-[(4-methylmorpholin-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 110710615
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110710626
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(4-methylsulfonylphenoxy)-N-[3-(4-methylsulfonylphenoxy)propyl]propan-1-amine
CID 98358896
4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 24692962
1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine
CID 129344493
6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 115602812
4-cyano-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 112844129
4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61449550
4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile
CID 95979245
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707
4-[[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]sulfonyl]benzonitrile
CID 124572594

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide (CID 129479094) is 4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide is CN1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide?
The InChIKey is PXPWWIXQQHRNEA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-19-8-9-23-16(12-19)13-20(11-15-2-3-15)24(21,22)17-6-4-14(10-18)5-7-17/h4-7,15-16H,2-3,8-9,11-13H2,1H3/t16-/m1/s1.
What are the key properties of 4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide?
4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 129479094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).