2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol

C11H26N2O3S — CID 106253301

IUPAC2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H26N2O3S/c1-6-11(7-2,9-14)8-12-17(15,16)13-10(3,4)5/h12-14H,6-9H2,1-5H3
InChIKeyOURYMJLBPFJXQY-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.01
Rot. Bonds7

About 2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol

2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol (PubChem CID 106253301) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol
PubChem CID106253301
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC Name2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H26N2O3S/c1-6-11(7-2,9-14)8-12-17(15,16)13-10(3,4)5/h12-14H,6-9H2,1-5H3
InChIKeyOURYMJLBPFJXQY-UHFFFAOYSA-N
XLogP1.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine
CID 106251175
2-ethyl-2-[(ethylsulfamoylamino)methyl]butan-1-ol
CID 103844857
3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
CID 103844834
N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide
CID 103844842
1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide
CID 106258700
ethyl N-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]carbamate
CID 106253368
2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol
CID 81411478
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844707
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate
CID 113334739
N'-(tert-butylsulfamoyl)-N-methylmethanediamine
CID 117126162
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844855

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol (CID 106253301) is 2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol?
The InChIKey is OURYMJLBPFJXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-6-11(7-2,9-14)8-12-17(15,16)13-10(3,4)5/h12-14H,6-9H2,1-5H3.
What are the key properties of 2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol?
2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol has a molecular weight of 266.41 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106253301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).