N-tert-butylethenesulfonamide;methane

C7H17NO2S — CID 161434127

IUPACN-tert-butylethenesulfonamide;methane
SMILESC.C=CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C6H13NO2S.CH4/c1-5-10(8,9)7-6(2,3)4;/h5,7H,1H2,2-4H3;1H4
InChIKeyVYKLGRVWRWISAK-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.48
Rot. Bonds2

About N-tert-butylethenesulfonamide;methane

N-tert-butylethenesulfonamide;methane (PubChem CID 161434127) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-tert-butylethenesulfonamide;methane.

Molecular Properties

Compound NameN-tert-butylethenesulfonamide;methane
PubChem CID161434127
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-tert-butylethenesulfonamide;methane
SMILESC.C=CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C6H13NO2S.CH4/c1-5-10(8,9)7-6(2,3)4;/h5,7H,1H2,2-4H3;1H4
InChIKeyVYKLGRVWRWISAK-UHFFFAOYSA-N
XLogP1.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-tert-butyl-2-fluoroethenesulfonamide
CID 130209117
Ethanesulfonamide, N-(1,1-dimethylethyl)-
CID 3526384
N-(2-Cyano-2-propyl)-vinylsulfonamide
CID 13799778
N-(Tert-butyl)-2-propanesulfonamide
CID 19611836
N-tert-butylbutane-1-sulfonamide
CID 19681695
(E)-N-tert-butylbut-1-ene-1-sulfonamide
CID 22131293
N-tert-butylbut-1-ene-1-sulfonamide
CID 54358520
N-(Tert-butyl)propane-1-sulfonamide
CID 57176664
N-(Tert-butyl)ethenesulfonamide
CID 57683203
(E)-N-tert-butyl-3,3-dimethylbut-1-ene-1-sulfonamide
CID 58790432
(Z)-N,N'-ditert-butylethene-1,2-disulfonamide
CID 59581785
N,N'-ditert-butylethene-1,2-disulfonamide
CID 72331747

Frequently Asked Questions

What is the IUPAC name of N-tert-butylethenesulfonamide;methane?
The IUPAC name of N-tert-butylethenesulfonamide;methane (CID 161434127) is N-tert-butylethenesulfonamide;methane.
What is the SMILES notation for N-tert-butylethenesulfonamide;methane?
The canonical SMILES for N-tert-butylethenesulfonamide;methane is C.C=CS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylethenesulfonamide;methane?
The InChIKey is VYKLGRVWRWISAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.CH4/c1-5-10(8,9)7-6(2,3)4;/h5,7H,1H2,2-4H3;1H4.
What are the key properties of N-tert-butylethenesulfonamide;methane?
N-tert-butylethenesulfonamide;methane has a molecular weight of 179.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylethenesulfonamide;methane is sourced from PubChem (CID 161434127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).