N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide

C9H19NO3S — CID 43577532

IUPACN-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C9H19NO3S/c1-2-3-8-14(12,13)10(6-7-11)9-4-5-9/h9,11H,2-8H2,1H3
InChIKeyJGCKAGRBGGFJOI-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds7

About N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide

N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide (PubChem CID 43577532) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide
PubChem CID43577532
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C9H19NO3S/c1-2-3-8-14(12,13)10(6-7-11)9-4-5-9/h9,11H,2-8H2,1H3
InChIKeyJGCKAGRBGGFJOI-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide (CID 43577532) is N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The InChIKey is JGCKAGRBGGFJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-3-8-14(12,13)10(6-7-11)9-4-5-9/h9,11H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 43577532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).