N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide

C16H21N3O4S — CID 119986408

IUPACN-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCN1C(=O)c2ccc(S(=O)(=O)NC3CCCCC3CN)cc2C1=O
InChIInChI=1S/C16H21N3O4S/c1-19-15(20)12-7-6-11(8-13(12)16(19)21)24(22,23)18-14-5-3-2-4-10(14)9-17/h6-8,10,14,18H,2-5,9,17H2,1H3
InChIKeyRBTNZRNEUAMAFT-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.71
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide

N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 119986408) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide
PubChem CID119986408
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCN1C(=O)c2ccc(S(=O)(=O)NC3CCCCC3CN)cc2C1=O
InChIInChI=1S/C16H21N3O4S/c1-19-15(20)12-7-6-11(8-13(12)16(19)21)24(22,23)18-14-5-3-2-4-10(14)9-17/h6-8,10,14,18H,2-5,9,17H2,1H3
InChIKeyRBTNZRNEUAMAFT-UHFFFAOYSA-N
XLogP0.71
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120726485
N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120584972
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
CID 119986184
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119986348
1-N-[2-(aminomethyl)cyclohexyl]-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 119986083
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 124690616
N-[2-(aminomethyl)cyclohexyl]-3-bromo-4-nitrobenzenesulfonamide
CID 119986021
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711169
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119986255

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide (CID 119986408) is N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide is CN1C(=O)c2ccc(S(=O)(=O)NC3CCCCC3CN)cc2C1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is RBTNZRNEUAMAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-19-15(20)12-7-6-11(8-13(12)16(19)21)24(22,23)18-14-5-3-2-4-10(14)9-17/h6-8,10,14,18H,2-5,9,17H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 119986408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).