4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol

C11H25NO3S — CID 106734260

IUPAC4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol
SMILESCCNCC(C)(O)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-6-12-9-11(5,13)7-8-16(14,15)10(2,3)4/h12-13H,6-9H2,1-5H3
InChIKeyDQSDNLPAUYBENJ-UHFFFAOYSA-N
MW251.39 g/mol
LogP0.95
Rot. Bonds6

About 4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol

4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol (PubChem CID 106734260) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol
PubChem CID106734260
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol
SMILESCCNCC(C)(O)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-6-12-9-11(5,13)7-8-16(14,15)10(2,3)4/h12-13H,6-9H2,1-5H3
InChIKeyDQSDNLPAUYBENJ-UHFFFAOYSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butylsulfonyl-2-methyl-1-(propylamino)butan-2-ol
CID 106734264
1-(ethylamino)-2,5,5-trimethylhexan-2-ol
CID 66039846
3-tert-butylsulfonyl-N-ethylpropan-1-amine
CID 64645773
N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine
CID 106725718
5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol
CID 66039843
N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729808
1-(ethylamino)-2,3,3-trimethylbutan-2-ol
CID 80559205
2-(2-tert-butylsulfonylethyl)-2-methylpentan-1-amine
CID 106729780
4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)-2-methylbutane
CID 106734842
N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine
CID 106730348

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol?
The IUPAC name of 4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol (CID 106734260) is 4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol is CCNCC(C)(O)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol?
The InChIKey is DQSDNLPAUYBENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-6-12-9-11(5,13)7-8-16(14,15)10(2,3)4/h12-13H,6-9H2,1-5H3.
What are the key properties of 4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol?
4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol has a molecular weight of 251.39 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 106734260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).