N-(3-methoxycyclobutyl)propane-2-sulfonamide

C8H17NO3S — CID 104600591

IUPACN-(3-methoxycyclobutyl)propane-2-sulfonamide
SMILESCOC1CC(NS(=O)(=O)C(C)C)C1
InChIInChI=1S/C8H17NO3S/c1-6(2)13(10,11)9-7-4-8(5-7)12-3/h6-9H,4-5H2,1-3H3
InChIKeyWYHLNNJPJWZXAZ-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.49
Rot. Bonds4

About N-(3-methoxycyclobutyl)propane-2-sulfonamide

N-(3-methoxycyclobutyl)propane-2-sulfonamide (PubChem CID 104600591) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)propane-2-sulfonamide
PubChem CID104600591
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(3-methoxycyclobutyl)propane-2-sulfonamide
SMILESCOC1CC(NS(=O)(=O)C(C)C)C1
InChIInChI=1S/C8H17NO3S/c1-6(2)13(10,11)9-7-4-8(5-7)12-3/h6-9H,4-5H2,1-3H3
InChIKeyWYHLNNJPJWZXAZ-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)propane-2-sulfonamide?
The IUPAC name of N-(3-methoxycyclobutyl)propane-2-sulfonamide (CID 104600591) is N-(3-methoxycyclobutyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-methoxycyclobutyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-methoxycyclobutyl)propane-2-sulfonamide is COC1CC(NS(=O)(=O)C(C)C)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)propane-2-sulfonamide?
The InChIKey is WYHLNNJPJWZXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-6(2)13(10,11)9-7-4-8(5-7)12-3/h6-9H,4-5H2,1-3H3.
What are the key properties of N-(3-methoxycyclobutyl)propane-2-sulfonamide?
N-(3-methoxycyclobutyl)propane-2-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)propane-2-sulfonamide is sourced from PubChem (CID 104600591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).