N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide

C11H26N2O4S2 — CID 113068071

IUPACN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H26N2O4S2/c1-6-7-10-19(16,17)12-8-9-13(11(2,3)4)18(5,14)15/h12H,6-10H2,1-5H3
InChIKeyLSAUVQNVGJKTET-UHFFFAOYSA-N
MW314.47 g/mol
LogP0.77
Rot. Bonds8

About N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide

N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide (PubChem CID 113068071) has the molecular formula C11H26N2O4S2 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide
PubChem CID113068071
Molecular FormulaC11H26N2O4S2
Molecular Weight314.47 g/mol
Exact Mass314.13
IUPAC NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H26N2O4S2/c1-6-7-10-19(16,17)12-8-9-13(11(2,3)4)18(5,14)15/h12H,6-10H2,1-5H3
InChIKeyLSAUVQNVGJKTET-UHFFFAOYSA-N
XLogP0.77
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-aminoethyl)-N-tert-butylmethanesulfonamide
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2-[[3-(Chloroamino)-3-methylbutyl]sulfonylamino]ethyl-trimethylazanium
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1-(Ethylsulfamoyl)-2-[[ethyl(sulfinato)amino]methylsulfonylamino]-2-methylpropane
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2-Methyl-2-piperazin-1-ylpropane-1-sulfonamide
CID 57056991
2-(Tert-butylamino)ethanesulfonamide
CID 59743286
N-[2-(tert-butylamino)ethyl]propane-2-sulfonamide
CID 60147238
2-(tert-butylamino)-N,N-dimethylethanesulfonamide
CID 60147272
1-Ethylsulfonyl-2,2-dimethylpiperazine
CID 65462765
N-[2-(diethylamino)-3-sulfanylidenepropyl]methanesulfonamide
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CID 89901753

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide (CID 113068071) is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide?
The InChIKey is LSAUVQNVGJKTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O4S2/c1-6-7-10-19(16,17)12-8-9-13(11(2,3)4)18(5,14)15/h12H,6-10H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide?
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide has a molecular weight of 314.47 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 113068071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).