N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide

C9H22N2O4S2 — CID 63244989

IUPACN-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide
SMILESCCC(C)(CN)N(C)S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S2/c1-5-9(2,8-10)11(3)17(14,15)7-6-16(4,12)13/h5-8,10H2,1-4H3
InChIKeySYMWPOSQLPPAIR-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.58
Rot. Bonds7

About N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide

N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide (PubChem CID 63244989) has the molecular formula C9H22N2O4S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide
PubChem CID63244989
Molecular FormulaC9H22N2O4S2
Molecular Weight286.42 g/mol
Exact Mass286.10
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide
SMILESCCC(C)(CN)N(C)S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S2/c1-5-9(2,8-10)11(3)17(14,15)7-6-16(4,12)13/h5-8,10H2,1-4H3
InChIKeySYMWPOSQLPPAIR-UHFFFAOYSA-N
XLogP-0.58
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide
CID 63245031
N-(1-amino-2-methylbutan-2-yl)-N,2-dimethylpropane-2-sulfonamide
CID 63690060
2-N-(diethylsulfamoyl)-2-N,2-dimethylbutane-1,2-diamine
CID 62010048
2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62724307
N-(1-amino-2-methylbutan-2-yl)-N-ethylpropane-1-sulfonamide
CID 62009447
N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide
CID 62009247
2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine
CID 62010456
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172878
N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 62008245
N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62061893
2-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfonylethyl)butanamide
CID 79850861
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide
CID 63687287

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide (CID 63244989) is N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide is CCC(C)(CN)N(C)S(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide?
The InChIKey is SYMWPOSQLPPAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S2/c1-5-9(2,8-10)11(3)17(14,15)7-6-16(4,12)13/h5-8,10H2,1-4H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide has a molecular weight of 286.42 g/mol, XLogP of -0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 63244989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).