N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide

C13H28N2O4S2 — CID 63244806

IUPACN-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C13H28N2O4S2/c1-20(16,17)11-12-21(18,19)15(10-6-9-14)13-7-4-2-3-5-8-13/h13H,2-12,14H2,1H3
InChIKeyVOTMWANYIGLOEU-UHFFFAOYSA-N
MW340.51 g/mol
LogP0.73
Rot. Bonds8

About N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide

N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide (PubChem CID 63244806) has the molecular formula C13H28N2O4S2 and a molecular weight of 340.51 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide
PubChem CID63244806
Molecular FormulaC13H28N2O4S2
Molecular Weight340.51 g/mol
Exact Mass340.15
IUPAC NameN-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C13H28N2O4S2/c1-20(16,17)11-12-21(18,19)15(10-6-9-14)13-7-4-2-3-5-8-13/h13H,2-12,14H2,1H3
InChIKeyVOTMWANYIGLOEU-UHFFFAOYSA-N
XLogP0.73
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
CID 55173884
N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide
CID 63245460
N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137026
N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83047751
N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide
CID 102874325
N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
CID 102873556
N-(3-aminopropyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83068235
N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
CID 43137019
N-(3-aminopropyl)-N-cyclopentyl-2-methylpropane-2-sulfonamide
CID 63688955
N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
CID 63246125
3-[cyclopropyl(2-methylsulfonylethylsulfonyl)amino]propanethioamide
CID 63243082
N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246646

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide (CID 63244806) is N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)N(CCCN)C1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide?
The InChIKey is VOTMWANYIGLOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S2/c1-20(16,17)11-12-21(18,19)15(10-6-9-14)13-7-4-2-3-5-8-13/h13H,2-12,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide?
N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide has a molecular weight of 340.51 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 63244806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).