1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide

C8H18ClNO3S — CID 106258700

IUPAC1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)CCl
InChIInChI=1S/C8H18ClNO3S/c1-3-8(4-2,6-11)5-10-14(12,13)7-9/h10-11H,3-7H2,1-2H3
InChIKeyDCOBISGPXZLZIE-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.90
Rot. Bonds7

About 1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide

1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide (PubChem CID 106258700) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide
PubChem CID106258700
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)CCl
InChIInChI=1S/C8H18ClNO3S/c1-3-8(4-2,6-11)5-10-14(12,13)7-9/h10-11H,3-7H2,1-2H3
InChIKeyDCOBISGPXZLZIE-UHFFFAOYSA-N
XLogP0.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide
CID 103844842
3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
CID 103844834
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate
CID 113334739
2-ethyl-2-[(ethylsulfamoylamino)methyl]butan-1-ol
CID 103844857
1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide
CID 106178272
2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol
CID 106253301
ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate
CID 103844785
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844707
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844855
ethyl N-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]carbamate
CID 106253368
1-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)methanesulfonamide
CID 106248521
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
CID 104940855

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide (CID 106258700) is 1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide is CCC(CC)(CO)CNS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide?
The InChIKey is DCOBISGPXZLZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO3S/c1-3-8(4-2,6-11)5-10-14(12,13)7-9/h10-11H,3-7H2,1-2H3.
What are the key properties of 1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide?
1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide has a molecular weight of 243.76 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide is sourced from PubChem (CID 106258700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).