N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide

C9H19NO3S — CID 79386609

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)C1CC1
InChIInChI=1S/C9H19NO3S/c1-4-10(7-9(2,3)11)14(12,13)8-5-6-8/h8,11H,4-7H2,1-3H3
InChIKeyKLUCWSMBGFLPBK-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide (PubChem CID 79386609) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide
PubChem CID79386609
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)C1CC1
InChIInChI=1S/C9H19NO3S/c1-4-10(7-9(2,3)11)14(12,13)8-5-6-8/h8,11H,4-7H2,1-3H3
InChIKeyKLUCWSMBGFLPBK-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide (CID 79386609) is N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)C1CC1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide?
The InChIKey is KLUCWSMBGFLPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-4-10(7-9(2,3)11)14(12,13)8-5-6-8/h8,11H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclopropanesulfonamide is sourced from PubChem (CID 79386609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).