N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide

C6H13NO4S — CID 89465036

IUPACN-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide
SMILESCS(=O)(=O)CN(C=O)CCCO
InChIInChI=1S/C6H13NO4S/c1-12(10,11)6-7(5-9)3-2-4-8/h5,8H,2-4,6H2,1H3
InChIKeyPERGEUASVPYGAO-UHFFFAOYSA-N
MW195.24 g/mol
LogP-1.17
Rot. Bonds6

About N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide

N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide (PubChem CID 89465036) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide
PubChem CID89465036
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC NameN-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide
SMILESCS(=O)(=O)CN(C=O)CCCO
InChIInChI=1S/C6H13NO4S/c1-12(10,11)6-7(5-9)3-2-4-8/h5,8H,2-4,6H2,1H3
InChIKeyPERGEUASVPYGAO-UHFFFAOYSA-N
XLogP-1.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(3-hydroxypropyl)methanesulfonamide
CID 20746482
N-(4-hydroxybutyl)-N-methylsulfonylmethanesulfonamide
CID 87416448
3-(dimethylamino)propan-1-ol;ethane
CID 142056104
2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
CID 63196306
N-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
1-aminopropane-1-sulfonic acid;3-(dimethylamino)propan-1-ol
CID 174873794
3-[methyl-[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]propan-1-ol
CID 111381524
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfonylacetamide
CID 102866191
1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
CID 112689196
N-butyl-N-octadecylformamide
CID 54030417
[methyl(2-methylsulfonylethyl)amino]methanol
CID 174115571

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide?
The IUPAC name of N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide (CID 89465036) is N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide is CS(=O)(=O)CN(C=O)CCCO.
What is the InChIKey of N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide?
The InChIKey is PERGEUASVPYGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-12(10,11)6-7(5-9)3-2-4-8/h5,8H,2-4,6H2,1H3.
What are the key properties of N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide?
N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide has a molecular weight of 195.24 g/mol, XLogP of -1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide is sourced from PubChem (CID 89465036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).