N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide

C15H22N2O4S — CID 120874313

IUPACN-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCC1(N)CCCCC1)OCO2
InChIInChI=1S/C15H22N2O4S/c1-11-7-12-13(21-10-20-12)8-14(11)22(18,19)17-9-15(16)5-3-2-4-6-15/h7-8,17H,2-6,9-10,16H2,1H3
InChIKeyUZTHCIRLYVNVMG-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.66
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide

N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide (PubChem CID 120874313) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide
PubChem CID120874313
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCC1(N)CCCCC1)OCO2
InChIInChI=1S/C15H22N2O4S/c1-11-7-12-13(21-10-20-12)8-14(11)22(18,19)17-9-15(16)5-3-2-4-6-15/h7-8,17H,2-6,9-10,16H2,1H3
InChIKeyUZTHCIRLYVNVMG-UHFFFAOYSA-N
XLogP1.66
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
N-[(1-aminocycloheptyl)methyl]-4-cyano-2-methylbenzenesulfonamide
CID 119998644
N-[(1-aminocyclohexyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 119958870
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573
4-N-[(1-aminocycloheptyl)methyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875665
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
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide (CID 120874313) is N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NCC1(N)CCCCC1)OCO2.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide?
The InChIKey is UZTHCIRLYVNVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-7-12-13(21-10-20-12)8-14(11)22(18,19)17-9-15(16)5-3-2-4-6-15/h7-8,17H,2-6,9-10,16H2,1H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide?
N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 120874313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).