N-tert-butyl-2-methylsulfonylethanesulfonamide

C7H17NO4S2 — CID 64591010

IUPACN-tert-butyl-2-methylsulfonylethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO4S2/c1-7(2,3)8-14(11,12)6-5-13(4,9)10/h8H,5-6H2,1-4H3
InChIKeyZXZZWEJCMWDNLU-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.25
Rot. Bonds4

About N-tert-butyl-2-methylsulfonylethanesulfonamide

N-tert-butyl-2-methylsulfonylethanesulfonamide (PubChem CID 64591010) has the molecular formula C7H17NO4S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-tert-butyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-methylsulfonylethanesulfonamide
PubChem CID64591010
Molecular FormulaC7H17NO4S2
Molecular Weight243.35 g/mol
Exact Mass243.06
IUPAC NameN-tert-butyl-2-methylsulfonylethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO4S2/c1-7(2,3)8-14(11,12)6-5-13(4,9)10/h8H,5-6H2,1-4H3
InChIKeyZXZZWEJCMWDNLU-UHFFFAOYSA-N
XLogP-0.25
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-N-tert-butyl-6,6-dimethylhept-3-ene-1-sulfonamide
CID 146353096
N-methoxy-2-methylsulfonylethanesulfonamide
CID 64973848
N-tert-butylmethanesulfonamide;2,2-dimethylpropane
CID 161299007
N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 103835338
N-tert-butyl-4-tert-butylsulfinamoyl-4-methylpentane-1-sulfonamide
CID 130218693
N-[(E)-4-chlorobut-2-enyl]-2-methylsulfonylethanesulfonamide
CID 81429774
N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide
CID 65314172
N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521803
N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide
CID 167273814
N-tert-butyl-3-chloro-2-methylpropane-1-sulfonamide
CID 79579871
N-(2-bromo-4-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 107158209
N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62528090

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-tert-butyl-2-methylsulfonylethanesulfonamide (CID 64591010) is N-tert-butyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-tert-butyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-tert-butyl-2-methylsulfonylethanesulfonamide is CC(C)(C)NS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-methylsulfonylethanesulfonamide?
The InChIKey is ZXZZWEJCMWDNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S2/c1-7(2,3)8-14(11,12)6-5-13(4,9)10/h8H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-2-methylsulfonylethanesulfonamide?
N-tert-butyl-2-methylsulfonylethanesulfonamide has a molecular weight of 243.35 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 64591010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).