N-tert-butylsulfinamoylmethanesulfonamide

C5H14N2O3S2 — CID 167420862

IUPACN-tert-butylsulfinamoylmethanesulfonamide
SMILESCC(C)(C)NS(=O)NS(C)(=O)=O
InChIInChI=1S/C5H14N2O3S2/c1-5(2,3)6-11(8)7-12(4,9)10/h6-7H,1-4H3
InChIKeyUUYKMBPXXIFZHF-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.50
Rot. Bonds3

About N-tert-butylsulfinamoylmethanesulfonamide

N-tert-butylsulfinamoylmethanesulfonamide (PubChem CID 167420862) has the molecular formula C5H14N2O3S2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-tert-butylsulfinamoylmethanesulfonamide.

Molecular Properties

Compound NameN-tert-butylsulfinamoylmethanesulfonamide
PubChem CID167420862
Molecular FormulaC5H14N2O3S2
Molecular Weight214.31 g/mol
Exact Mass214.04
IUPAC NameN-tert-butylsulfinamoylmethanesulfonamide
SMILESCC(C)(C)NS(=O)NS(C)(=O)=O
InChIInChI=1S/C5H14N2O3S2/c1-5(2,3)6-11(8)7-12(4,9)10/h6-7H,1-4H3
InChIKeyUUYKMBPXXIFZHF-UHFFFAOYSA-N
XLogP-0.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyano-1-methylethyl)methanesulfonamide
CID 10855788
N-tert-butylmethanesulfonamide
CID 4130162
N-(1-amino-2-methylpropan-2-yl)methanesulfonamide
CID 51975222
N-(2-amino-2-methylpropyl)methanesulfonamide
CID 54269131
N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
CID 131067359
N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide
CID 167420852
N-(2-methylbutan-2-yl)methanesulfonamide
CID 12384631
N'-tert-butylmethanedisulfonamide
CID 14460428
N-(1-Methylcyclopropyl)methanesulfonamide
CID 86702163
N'-tert-butylethane-1,2-disulfonamide
CID 87286911
N-tert-butylmethanesulfonamide;hydrochloride
CID 87715132
1-amino-N-tert-butylmethanesulfonamide
CID 117892482

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfinamoylmethanesulfonamide?
The IUPAC name of N-tert-butylsulfinamoylmethanesulfonamide (CID 167420862) is N-tert-butylsulfinamoylmethanesulfonamide.
What is the SMILES notation for N-tert-butylsulfinamoylmethanesulfonamide?
The canonical SMILES for N-tert-butylsulfinamoylmethanesulfonamide is CC(C)(C)NS(=O)NS(C)(=O)=O.
What is the InChIKey of N-tert-butylsulfinamoylmethanesulfonamide?
The InChIKey is UUYKMBPXXIFZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S2/c1-5(2,3)6-11(8)7-12(4,9)10/h6-7H,1-4H3.
What are the key properties of N-tert-butylsulfinamoylmethanesulfonamide?
N-tert-butylsulfinamoylmethanesulfonamide has a molecular weight of 214.31 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfinamoylmethanesulfonamide is sourced from PubChem (CID 167420862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).