N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide

C16H26N2O3S — CID 120713602

IUPACN-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)NC(CN)C1CCCC1
InChIInChI=1S/C16H26N2O3S/c1-11-8-12(2)16(15(9-11)21-3)22(19,20)18-14(10-17)13-6-4-5-7-13/h8-9,13-14,18H,4-7,10,17H2,1-3H3
InChIKeyMPUJUIDJIQKPBA-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.11
Rot. Bonds6

About N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide

N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide (PubChem CID 120713602) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
PubChem CID120713602
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)NC(CN)C1CCCC1
InChIInChI=1S/C16H26N2O3S/c1-11-8-12(2)16(15(9-11)21-3)22(19,20)18-14(10-17)13-6-4-5-7-13/h8-9,13-14,18H,4-7,10,17H2,1-3H3
InChIKeyMPUJUIDJIQKPBA-UHFFFAOYSA-N
XLogP2.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 120875335
N-cyclopropyl-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759510
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
methyl 5-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 120585239
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711306
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119983591
5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
CID 119983507
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
CID 120584824
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
(2S)-2-[(2-methoxy-4,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 98026813

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide (CID 120713602) is N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide is COc1cc(C)cc(C)c1S(=O)(=O)NC(CN)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
The InChIKey is MPUJUIDJIQKPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-11-8-12(2)16(15(9-11)21-3)22(19,20)18-14(10-17)13-6-4-5-7-13/h8-9,13-14,18H,4-7,10,17H2,1-3H3.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 120713602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).