N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide

C14H22N2O3S — CID 91788329

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(Cc1ccccn1)C1CC(O)C1
InChIInChI=1S/C14H22N2O3S/c1-2-7-20(18,19)16-14(11-8-13(17)9-11)10-12-5-3-4-6-15-12/h3-6,11,13-14,16-17H,2,7-10H2,1H3
InChIKeyVFVODHRSHFTIKR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.09
Rot. Bonds7

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide (PubChem CID 91788329) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide
PubChem CID91788329
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(Cc1ccccn1)C1CC(O)C1
InChIInChI=1S/C14H22N2O3S/c1-2-7-20(18,19)16-14(11-8-13(17)9-11)10-12-5-3-4-6-15-12/h3-6,11,13-14,16-17H,2,7-10H2,1H3
InChIKeyVFVODHRSHFTIKR-UHFFFAOYSA-N
XLogP1.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide (CID 91788329) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC(Cc1ccccn1)C1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide?
The InChIKey is VFVODHRSHFTIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-7-20(18,19)16-14(11-8-13(17)9-11)10-12-5-3-4-6-15-12/h3-6,11,13-14,16-17H,2,7-10H2,1H3.
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]propane-1-sulfonamide is sourced from PubChem (CID 91788329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).