2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine

C19H25N3O2S — CID 56871259

IUPAC2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine
SMILESO=S(=O)(NCc1ccccc1)N(Cc1ccccn1)C1CCCCC1
InChIInChI=1S/C19H25N3O2S/c23-25(24,21-15-17-9-3-1-4-10-17)22(19-12-5-2-6-13-19)16-18-11-7-8-14-20-18/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2
InChIKeyXKOVMKQBERKBOM-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.25
Rot. Bonds7

About 2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine

2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine (PubChem CID 56871259) has the molecular formula C19H25N3O2S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine.

Molecular Properties

Compound Name2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine
PubChem CID56871259
Molecular FormulaC19H25N3O2S
Molecular Weight359.49 g/mol
Exact Mass359.17
IUPAC Name2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine
SMILESO=S(=O)(NCc1ccccc1)N(Cc1ccccn1)C1CCCCC1
InChIInChI=1S/C19H25N3O2S/c23-25(24,21-15-17-9-3-1-4-10-17)22(19-12-5-2-6-13-19)16-18-11-7-8-14-20-18/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2
InChIKeyXKOVMKQBERKBOM-UHFFFAOYSA-N
XLogP3.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062
1-N-benzyl-1-N,2-N,2-N-tris(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 91027062
2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60864750
4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid
CID 60950649
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 1079970
N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
CID 59826139
2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide
CID 61042552
N-benzyl-N-bromocyclohexanamine
CID 140997611
2-(cyclohexylmethyl)pyridine
CID 14762660
2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61040681

Frequently Asked Questions

What is the IUPAC name of 2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine?
The IUPAC name of 2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine (CID 56871259) is 2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine.
What is the SMILES notation for 2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine?
The canonical SMILES for 2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine is O=S(=O)(NCc1ccccc1)N(Cc1ccccn1)C1CCCCC1.
What is the InChIKey of 2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine?
The InChIKey is XKOVMKQBERKBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c23-25(24,21-15-17-9-3-1-4-10-17)22(19-12-5-2-6-13-19)16-18-11-7-8-14-20-18/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2.
What are the key properties of 2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine?
2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine has a molecular weight of 359.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzylsulfamoyl(cyclohexyl)amino]methyl]pyridine is sourced from PubChem (CID 56871259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).