N-(3-hydroxy-4-methoxybutyl)methanesulfonamide

C6H15NO4S — CID 103875867

IUPACN-(3-hydroxy-4-methoxybutyl)methanesulfonamide
SMILESCOCC(O)CCNS(C)(=O)=O
InChIInChI=1S/C6H15NO4S/c1-11-5-6(8)3-4-7-12(2,9)10/h6-8H,3-5H2,1-2H3
InChIKeyYIHPHZUSYPQMBI-UHFFFAOYSA-N
MW197.26 g/mol
LogP-1.07
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)methanesulfonamide

N-(3-hydroxy-4-methoxybutyl)methanesulfonamide (PubChem CID 103875867) has the molecular formula C6H15NO4S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)methanesulfonamide
PubChem CID103875867
Molecular FormulaC6H15NO4S
Molecular Weight197.26 g/mol
Exact Mass197.07
IUPAC NameN-(3-hydroxy-4-methoxybutyl)methanesulfonamide
SMILESCOCC(O)CCNS(C)(=O)=O
InChIInChI=1S/C6H15NO4S/c1-11-5-6(8)3-4-7-12(2,9)10/h6-8H,3-5H2,1-2H3
InChIKeyYIHPHZUSYPQMBI-UHFFFAOYSA-N
XLogP-1.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane
CID 103876036
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
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide
CID 106150803
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 103875907
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
N-(3-hydroxy-4-methoxybutyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103875953
N-(3-hydroxy-4-methoxybutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 103875971
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)methanesulfonamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)methanesulfonamide (CID 103875867) is N-(3-hydroxy-4-methoxybutyl)methanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)methanesulfonamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)methanesulfonamide is COCC(O)CCNS(C)(=O)=O.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)methanesulfonamide?
The InChIKey is YIHPHZUSYPQMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO4S/c1-11-5-6(8)3-4-7-12(2,9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of N-(3-hydroxy-4-methoxybutyl)methanesulfonamide?
N-(3-hydroxy-4-methoxybutyl)methanesulfonamide has a molecular weight of 197.26 g/mol, XLogP of -1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)methanesulfonamide is sourced from PubChem (CID 103875867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).