N-(3-ethyl-2-hydroxypentyl)methanesulfonamide

C8H19NO3S — CID 103684556

IUPACN-(3-ethyl-2-hydroxypentyl)methanesulfonamide
SMILESCCC(CC)C(O)CNS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-4-7(5-2)8(10)6-9-13(3,11)12/h7-10H,4-6H2,1-3H3
InChIKeyWZJDWIORHZGHEB-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.33
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)methanesulfonamide

N-(3-ethyl-2-hydroxypentyl)methanesulfonamide (PubChem CID 103684556) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)methanesulfonamide
PubChem CID103684556
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(3-ethyl-2-hydroxypentyl)methanesulfonamide
SMILESCCC(CC)C(O)CNS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-4-7(5-2)8(10)6-9-13(3,11)12/h7-10H,4-6H2,1-3H3
InChIKeyWZJDWIORHZGHEB-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)methanesulfonamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)methanesulfonamide (CID 103684556) is N-(3-ethyl-2-hydroxypentyl)methanesulfonamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)methanesulfonamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)methanesulfonamide is CCC(CC)C(O)CNS(C)(=O)=O.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)methanesulfonamide?
The InChIKey is WZJDWIORHZGHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-7(5-2)8(10)6-9-13(3,11)12/h7-10H,4-6H2,1-3H3.
What are the key properties of N-(3-ethyl-2-hydroxypentyl)methanesulfonamide?
N-(3-ethyl-2-hydroxypentyl)methanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)methanesulfonamide is sourced from PubChem (CID 103684556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).