N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide

C9H19NO3S — CID 63689912

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14(12,13)10-6-8(11)7-4-5-7/h7-8,10-11H,4-6H2,1-3H3
InChIKeyWLTNCZFFKYGFBR-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.48
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide (PubChem CID 63689912) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide
PubChem CID63689912
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14(12,13)10-6-8(11)7-4-5-7/h7-8,10-11H,4-6H2,1-3H3
InChIKeyWLTNCZFFKYGFBR-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide (CID 63689912) is N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide?
The InChIKey is WLTNCZFFKYGFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,3)14(12,13)10-6-8(11)7-4-5-7/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63689912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).