N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide

C9H19NO3S — CID 79578428

IUPACN-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)CCO
InChIInChI=1S/C9H19NO3S/c1-2-9(7-8-3-4-8)10-14(12,13)6-5-11/h8-11H,2-7H2,1H3
InChIKeyPJDGMZJTRXHYCK-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.48
Rot. Bonds7

About N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide

N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide (PubChem CID 79578428) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide
PubChem CID79578428
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)CCO
InChIInChI=1S/C9H19NO3S/c1-2-9(7-8-3-4-8)10-14(12,13)6-5-11/h8-11H,2-7H2,1H3
InChIKeyPJDGMZJTRXHYCK-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide (CID 79578428) is N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide is CCC(CC1CC1)NS(=O)(=O)CCO.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide?
The InChIKey is PJDGMZJTRXHYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-9(7-8-3-4-8)10-14(12,13)6-5-11/h8-11H,2-7H2,1H3.
What are the key properties of N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide?
N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide is sourced from PubChem (CID 79578428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).