4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol

C11H25NO3S — CID 103710589

IUPAC4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol
SMILESCC(O)CCN(C)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-10(13)6-7-12(5)8-9-16(14,15)11(2,3)4/h10,13H,6-9H2,1-5H3
InChIKeyHMVPVGRVULIXSW-UHFFFAOYSA-N
MW251.39 g/mol
LogP0.90
Rot. Bonds6

About 4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol

4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol (PubChem CID 103710589) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol
PubChem CID103710589
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol
SMILESCC(O)CCN(C)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-10(13)6-7-12(5)8-9-16(14,15)11(2,3)4/h10,13H,6-9H2,1-5H3
InChIKeyHMVPVGRVULIXSW-UHFFFAOYSA-N
XLogP0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butylsulfonyl-4-methylhexan-2-ol
CID 106732458
4-[2-(4-chlorophenyl)sulfonylethyl-methylamino]butan-2-ol
CID 115665717
4-[2-aminoethyl(methyl)amino]butan-2-ol
CID 86811494
1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol
CID 62333760
N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 113246222
4-[[2-tert-butylsulfonylethyl(methyl)amino]methyl]benzoic acid
CID 106727455
3-[2-tert-butylsulfonylethyl(methyl)amino]butanenitrile
CID 103760879
4-[but-3-enyl(methyl)amino]butan-2-ol
CID 115665768
methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate
CID 115976307
4-amino-N-(2-tert-butylsulfonylethyl)pentanamide
CID 120562745
N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848
3-bromo-N-(2-tert-butylsulfonylethyl)-N-propan-2-ylpropan-1-amine
CID 106731187

Frequently Asked Questions

What is the IUPAC name of 4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol?
The IUPAC name of 4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol (CID 103710589) is 4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol?
The canonical SMILES for 4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol is CC(O)CCN(C)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol?
The InChIKey is HMVPVGRVULIXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-10(13)6-7-12(5)8-9-16(14,15)11(2,3)4/h10,13H,6-9H2,1-5H3.
What are the key properties of 4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol?
4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol has a molecular weight of 251.39 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 103710589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).