N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide

C20H31N3O3S — CID 119544817

IUPACN-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCNCC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)CC1
InChIInChI=1S/C20H31N3O3S/c1-15-7-8-17(20(24)23-11-9-16(10-12-23)14-21-2)13-19(15)27(25,26)22-18-5-3-4-6-18/h7-8,13,16,18,21-22H,3-6,9-12,14H2,1-2H3
InChIKeyRHBQYXQVHWAWLL-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.29
Rot. Bonds6

About N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide

N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 119544817) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID119544817
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCNCC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)CC1
InChIInChI=1S/C20H31N3O3S/c1-15-7-8-17(20(24)23-11-9-16(10-12-23)14-21-2)13-19(15)27(25,26)22-18-5-3-4-6-18/h7-8,13,16,18,21-22H,3-6,9-12,14H2,1-2H3
InChIKeyRHBQYXQVHWAWLL-UHFFFAOYSA-N
XLogP2.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119546294
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119632759
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119467939
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119543843
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide;hydrochloride
CID 119467938
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119543842
N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
CID 146093151
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide
CID 143783654
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 119563638
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide (CID 119544817) is N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide is CNCC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)CC1.
What is the InChIKey of N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is RHBQYXQVHWAWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-15-7-8-17(20(24)23-11-9-16(10-12-23)14-21-2)13-19(15)27(25,26)22-18-5-3-4-6-18/h7-8,13,16,18,21-22H,3-6,9-12,14H2,1-2H3.
What are the key properties of N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide?
N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 393.55 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 119544817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).