N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide

C16H26N2O5S — CID 120874306

IUPACN-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCC2(N)CCCCC2)c(OC)c1
InChIInChI=1S/C16H26N2O5S/c1-21-12-9-13(22-2)15(14(10-12)23-3)24(19,20)18-11-16(17)7-5-4-6-8-16/h9-10,18H,4-8,11,17H2,1-3H3
InChIKeyMBTSNKFKXDXJDK-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.65
Rot. Bonds7

About N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide

N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide (PubChem CID 120874306) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide
PubChem CID120874306
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCC2(N)CCCCC2)c(OC)c1
InChIInChI=1S/C16H26N2O5S/c1-21-12-9-13(22-2)15(14(10-12)23-3)24(19,20)18-11-16(17)7-5-4-6-8-16/h9-10,18H,4-8,11,17H2,1-3H3
InChIKeyMBTSNKFKXDXJDK-UHFFFAOYSA-N
XLogP1.65
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 119998568
N-[1-(aminomethyl)cyclopentyl]-2,4,6-trimethoxybenzenesulfonamide
CID 120875153
methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 120874294
5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
CID 119958906
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 120998687
2,4,6-trimethoxybenzenesulfonohydrazide
CID 96666055
N-[(1-aminocyclobutyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328370
methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875685
N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide
CID 120998690
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide (CID 120874306) is N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)NCC2(N)CCCCC2)c(OC)c1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide?
The InChIKey is MBTSNKFKXDXJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-21-12-9-13(22-2)15(14(10-12)23-3)24(19,20)18-11-16(17)7-5-4-6-8-16/h9-10,18H,4-8,11,17H2,1-3H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide?
N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide is sourced from PubChem (CID 120874306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).