(2R)-2-(tert-butylsulfamoylamino)butan-1-ol

C8H20N2O3S — CID 104978099

IUPAC(2R)-2-(tert-butylsulfamoylamino)butan-1-ol
SMILESCC[C@H](CO)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H20N2O3S/c1-5-7(6-11)9-14(12,13)10-8(2,3)4/h7,9-11H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyKGXRPIXCENDSTG-SSDOTTSWSA-N
MW224.33 g/mol
LogP-0.02
Rot. Bonds5

About (2R)-2-(tert-butylsulfamoylamino)butan-1-ol

(2R)-2-(tert-butylsulfamoylamino)butan-1-ol (PubChem CID 104978099) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is (2R)-2-(tert-butylsulfamoylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(tert-butylsulfamoylamino)butan-1-ol
PubChem CID104978099
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name(2R)-2-(tert-butylsulfamoylamino)butan-1-ol
SMILESCC[C@H](CO)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H20N2O3S/c1-5-7(6-11)9-14(12,13)10-8(2,3)4/h7,9-11H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyKGXRPIXCENDSTG-SSDOTTSWSA-N
XLogP-0.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(tert-butylsulfamoylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(tert-butylsulfamoyl)pentane-1,3-diamine
CID 114803978
(2S)-2-(propylsulfamoylamino)butan-1-ol
CID 104981941
1-hydroxybutan-2-ylsulfamic acid
CID 150046835
2-(dimethylsulfamoylamino)-1-hydroxybutane
CID 43501763
N-(1-hydroxybutan-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842449
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 103918485
N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide
CID 104981929
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 104981900
2-(methylsulfamoylamino)propane-1,3-diol
CID 114809585
2-(tert-butylsulfamoylamino)pentanoic acid
CID 114805519
N-[(2S)-1-hydroxybutan-2-yl]cyclopropanesulfonamide
CID 104982018
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 103918549

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(tert-butylsulfamoylamino)butan-1-ol?
The IUPAC name of (2R)-2-(tert-butylsulfamoylamino)butan-1-ol (CID 104978099) is (2R)-2-(tert-butylsulfamoylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(tert-butylsulfamoylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(tert-butylsulfamoylamino)butan-1-ol is CC[C@H](CO)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of (2R)-2-(tert-butylsulfamoylamino)butan-1-ol?
The InChIKey is KGXRPIXCENDSTG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-5-7(6-11)9-14(12,13)10-8(2,3)4/h7,9-11H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of (2R)-2-(tert-butylsulfamoylamino)butan-1-ol?
(2R)-2-(tert-butylsulfamoylamino)butan-1-ol has a molecular weight of 224.33 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(tert-butylsulfamoylamino)butan-1-ol is sourced from PubChem (CID 104978099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).