2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide

C18H27N4O3S+ — CID 9473155

IUPAC2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide
SMILESC[C@@H]1CCCC[NH+]1CCCNC(=O)CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C18H26N4O3S/c1-15-7-4-5-11-22(15)12-6-10-20-18(23)14-21-26(24,25)17-9-3-2-8-16(17)13-19/h2-3,8-9,15,21H,4-7,10-12,14H2,1H3,(H,20,23)/p+1/t15-/m1/s1
InChIKeyYEJSYKOGOVNRFX-OAHLLOKOSA-O
MW379.51 g/mol
LogP-0.20
Rot. Bonds8

About 2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide

2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide (PubChem CID 9473155) has the molecular formula C18H27N4O3S+ and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide
PubChem CID9473155
Molecular FormulaC18H27N4O3S+
Molecular Weight379.51 g/mol
Exact Mass379.18
IUPAC Name2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide
SMILESC[C@@H]1CCCC[NH+]1CCCNC(=O)CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C18H26N4O3S/c1-15-7-4-5-11-22(15)12-6-10-20-18(23)14-21-26(24,25)17-9-3-2-8-16(17)13-19/h2-3,8-9,15,21H,4-7,10-12,14H2,1H3,(H,20,23)/p+1/t15-/m1/s1
InChIKeyYEJSYKOGOVNRFX-OAHLLOKOSA-O
XLogP-0.20
TPSA103.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propylamino]-2-oxoethyl]benzamide
CID 9472854
3,4-dimethyl-N-[2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-2-oxoethyl]benzamide
CID 9472866
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 8713182
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 9259068
N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-(methylsulfonylmethyl)benzamide
CID 9473052
2-[(2-cyanophenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143151
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653370
2-[(2-cyanophenyl)sulfonylamino]-N-piperidin-1-ylacetamide
CID 9271774
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052
N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9472505
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide?
The IUPAC name of 2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide (CID 9473155) is 2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide?
The canonical SMILES for 2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide is C[C@@H]1CCCC[NH+]1CCCNC(=O)CNS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide?
The InChIKey is YEJSYKOGOVNRFX-OAHLLOKOSA-O. The full InChI is InChI=1S/C18H26N4O3S/c1-15-7-4-5-11-22(15)12-6-10-20-18(23)14-21-26(24,25)17-9-3-2-8-16(17)13-19/h2-3,8-9,15,21H,4-7,10-12,14H2,1H3,(H,20,23)/p+1/t15-/m1/s1.
What are the key properties of 2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide?
2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide has a molecular weight of 379.51 g/mol, XLogP of -0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide is sourced from PubChem (CID 9473155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).