N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide

C14H21NO3S — CID 71979577

IUPACN-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C14H21NO3S/c1-12(2)18-10-11-19(16,17)15-14(8-9-14)13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3
InChIKeyOVWONARVBRKOGP-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.02
Rot. Bonds7

About N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide

N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 71979577) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID71979577
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C14H21NO3S/c1-12(2)18-10-11-19(16,17)15-14(8-9-14)13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3
InChIKeyOVWONARVBRKOGP-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide (CID 71979577) is N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is OVWONARVBRKOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-12(2)18-10-11-19(16,17)15-14(8-9-14)13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3.
What are the key properties of N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide?
N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclopropyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 71979577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).