N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide

C9H21NO4S — CID 62521960

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)CCOC
InChIInChI=1S/C9H21NO4S/c1-4-9(5-2,8-11)10-15(12,13)7-6-14-3/h10-11H,4-8H2,1-3H3
InChIKeyLFIFKXWDKWFAFA-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.10
Rot. Bonds8

About N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide (PubChem CID 62521960) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
PubChem CID62521960
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)CCOC
InChIInChI=1S/C9H21NO4S/c1-4-9(5-2,8-11)10-15(12,13)7-6-14-3/h10-11H,4-8H2,1-3H3
InChIKeyLFIFKXWDKWFAFA-UHFFFAOYSA-N
XLogP0.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide (CID 62521960) is N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide is CCC(CC)(CO)NS(=O)(=O)CCOC.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide?
The InChIKey is LFIFKXWDKWFAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-4-9(5-2,8-11)10-15(12,13)7-6-14-3/h10-11H,4-8H2,1-3H3.
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 62521960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).