2-(dimethylsulfamoylamino)-1-hydroxybutane

C6H16N2O3S — CID 43501763

IUPAC2-(dimethylsulfamoylamino)-1-hydroxybutane
SMILESCCC(CO)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H16N2O3S/c1-4-6(5-9)7-12(10,11)8(2)3/h6-7,9H,4-5H2,1-3H3
InChIKeyTYCNIHIYQGMUPE-UHFFFAOYSA-N
MW196.27 g/mol
LogP-0.85
Rot. Bonds5

About 2-(dimethylsulfamoylamino)-1-hydroxybutane

2-(dimethylsulfamoylamino)-1-hydroxybutane (PubChem CID 43501763) has the molecular formula C6H16N2O3S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-1-hydroxybutane.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-1-hydroxybutane
PubChem CID43501763
Molecular FormulaC6H16N2O3S
Molecular Weight196.27 g/mol
Exact Mass196.09
IUPAC Name2-(dimethylsulfamoylamino)-1-hydroxybutane
SMILESCCC(CO)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H16N2O3S/c1-4-6(5-9)7-12(10,11)8(2)3/h6-7,9H,4-5H2,1-3H3
InChIKeyTYCNIHIYQGMUPE-UHFFFAOYSA-N
XLogP-0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylsulfamoylamino)pentane
CID 3288703
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 103918549
1-hydroxybutan-2-ylsulfamic acid
CID 150046835
2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
CID 79022091
N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide
CID 104981929
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 103918485
N-(1-hydroxybutan-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842449
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 104981900
(2R)-2-(tert-butylsulfamoylamino)butan-1-ol
CID 104978099
N-[(2S)-1-hydroxybutan-2-yl]cyclopropanesulfonamide
CID 104982018
(2S)-2-(propylsulfamoylamino)butan-1-ol
CID 104981941
1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide
CID 104868962

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-1-hydroxybutane?
The IUPAC name of 2-(dimethylsulfamoylamino)-1-hydroxybutane (CID 43501763) is 2-(dimethylsulfamoylamino)-1-hydroxybutane.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-1-hydroxybutane?
The canonical SMILES for 2-(dimethylsulfamoylamino)-1-hydroxybutane is CCC(CO)NS(=O)(=O)N(C)C.
What is the InChIKey of 2-(dimethylsulfamoylamino)-1-hydroxybutane?
The InChIKey is TYCNIHIYQGMUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3S/c1-4-6(5-9)7-12(10,11)8(2)3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2-(dimethylsulfamoylamino)-1-hydroxybutane?
2-(dimethylsulfamoylamino)-1-hydroxybutane has a molecular weight of 196.27 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-1-hydroxybutane is sourced from PubChem (CID 43501763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).