N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide

C8H17NO3S — CID 66004393

IUPACN-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C8H17NO3S/c1-2-3-13(11,12)9-6-7-4-8(10)5-7/h7-10H,2-6H2,1H3
InChIKeyBASKDAZLQFAXMA-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.09
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide

N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide (PubChem CID 66004393) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide
PubChem CID66004393
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C8H17NO3S/c1-2-3-13(11,12)9-6-7-4-8(10)5-7/h7-10H,2-6H2,1H3
InChIKeyBASKDAZLQFAXMA-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide (CID 66004393) is N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide?
The InChIKey is BASKDAZLQFAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-3-13(11,12)9-6-7-4-8(10)5-7/h7-10H,2-6H2,1H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 66004393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).