4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane

C7H18N2O4S — CID 103876036

IUPAC4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane
SMILESCOCC(O)CCNS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O4S/c1-9(2)14(11,12)8-5-4-7(10)6-13-3/h7-8,10H,4-6H2,1-3H3
InChIKeyZBGDUQRMFQVVGR-UHFFFAOYSA-N
MW226.30 g/mol
LogP-1.22
Rot. Bonds7

About 4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane

4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane (PubChem CID 103876036) has the molecular formula C7H18N2O4S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane
PubChem CID103876036
Molecular FormulaC7H18N2O4S
Molecular Weight226.30 g/mol
Exact Mass226.10
IUPAC Name4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane
SMILESCOCC(O)CCNS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O4S/c1-9(2)14(11,12)8-5-4-7(10)6-13-3/h7-8,10H,4-6H2,1-3H3
InChIKeyZBGDUQRMFQVVGR-UHFFFAOYSA-N
XLogP-1.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)methanesulfonamide
CID 103875867
2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114815632
N-(3-hydroxy-4-methoxybutyl)cyclopentanesulfonamide
CID 103875926
N-(3-hydroxy-4-methoxybutyl)formamide
CID 106243326
N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 103876049
5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
CID 103858830
1-(dimethylsulfamoylamino)-2-hydroxyethane
CID 3657512
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide
CID 106150803
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)-3,6-dimethylbenzenesulfonamide
CID 103875890
1-aminooxy-2-(dimethylsulfamoylamino)ethane
CID 39237574
N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-methoxyethyl)acetamide
CID 113053211
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane?
The IUPAC name of 4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane (CID 103876036) is 4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane?
The canonical SMILES for 4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane is COCC(O)CCNS(=O)(=O)N(C)C.
What is the InChIKey of 4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane?
The InChIKey is ZBGDUQRMFQVVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O4S/c1-9(2)14(11,12)8-5-4-7(10)6-13-3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane?
4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane has a molecular weight of 226.30 g/mol, XLogP of -1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane is sourced from PubChem (CID 103876036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).