N-tert-butylmethanesulfonamide;hydrochloride

C5H14ClNO2S — CID 87715132

IUPACN-tert-butylmethanesulfonamide;hydrochloride
SMILESCC(C)(C)NS(C)(=O)=O.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-5(2,3)6-9(4,7)8;/h6H,1-4H3;1H
InChIKeyCXJOUJOIDHZOGI-UHFFFAOYSA-N
MW187.69 g/mol
LogP0.76
Rot. Bonds1

About N-tert-butylmethanesulfonamide;hydrochloride

N-tert-butylmethanesulfonamide;hydrochloride (PubChem CID 87715132) has the molecular formula C5H14ClNO2S and a molecular weight of 187.69 g/mol. Its IUPAC name is N-tert-butylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butylmethanesulfonamide;hydrochloride
PubChem CID87715132
Molecular FormulaC5H14ClNO2S
Molecular Weight187.69 g/mol
Exact Mass187.04
IUPAC NameN-tert-butylmethanesulfonamide;hydrochloride
SMILESCC(C)(C)NS(C)(=O)=O.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-5(2,3)6-9(4,7)8;/h6H,1-4H3;1H
InChIKeyCXJOUJOIDHZOGI-UHFFFAOYSA-N
XLogP0.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylmethanesulfonamide;hydrochloride?
The IUPAC name of N-tert-butylmethanesulfonamide;hydrochloride (CID 87715132) is N-tert-butylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-tert-butylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-tert-butylmethanesulfonamide;hydrochloride is CC(C)(C)NS(C)(=O)=O.Cl.
What is the InChIKey of N-tert-butylmethanesulfonamide;hydrochloride?
The InChIKey is CXJOUJOIDHZOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S.ClH/c1-5(2,3)6-9(4,7)8;/h6H,1-4H3;1H.
What are the key properties of N-tert-butylmethanesulfonamide;hydrochloride?
N-tert-butylmethanesulfonamide;hydrochloride has a molecular weight of 187.69 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 87715132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).