N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide

C7H17NO3S — CID 39239567

IUPACN-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CCO
InChIInChI=1S/C7H17NO3S/c1-3-4-7-12(10,11)8(2)5-6-9/h9H,3-7H2,1-2H3
InChIKeyISEFLZJCGJXKSC-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.04
Rot. Bonds6

About N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide

N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide (PubChem CID 39239567) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide
PubChem CID39239567
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CCO
InChIInChI=1S/C7H17NO3S/c1-3-4-7-12(10,11)8(2)5-6-9/h9H,3-7H2,1-2H3
InChIKeyISEFLZJCGJXKSC-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide (CID 39239567) is N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide?
The InChIKey is ISEFLZJCGJXKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-3-4-7-12(10,11)8(2)5-6-9/h9H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide?
N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 39239567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).