N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide

C13H28N2O2S — CID 115306563

IUPACN-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCCNC1CCCCCC1
InChIInChI=1S/C13H28N2O2S/c1-12(2)11-18(16,17)15-10-9-14-13-7-5-3-4-6-8-13/h12-15H,3-11H2,1-2H3
InChIKeyFLRJSGQDAHEYCS-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.87
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide

N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide (PubChem CID 115306563) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide
PubChem CID115306563
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCCNC1CCCCCC1
InChIInChI=1S/C13H28N2O2S/c1-12(2)11-18(16,17)15-10-9-14-13-7-5-3-4-6-8-13/h12-15H,3-11H2,1-2H3
InChIKeyFLRJSGQDAHEYCS-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine
CID 106512958
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
4-[2-(cycloheptylamino)ethylsulfamoyl]butanoic acid
CID 115306585
[2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride
CID 119987290
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride
CID 119987099
N-propylcyclohexanamine;sulfuric acid
CID 22994805
N'-butan-2-yl-N-cyclohexylethane-1,2-diamine
CID 44630792
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
CID 107757330
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide (CID 115306563) is N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide?
The InChIKey is FLRJSGQDAHEYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(2)11-18(16,17)15-10-9-14-13-7-5-3-4-6-8-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide?
N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 115306563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).