N-(furan-2-ylmethyl)pentane-3-sulfonamide

C10H17NO3S — CID 91190592

IUPACN-(furan-2-ylmethyl)pentane-3-sulfonamide
SMILESCCC(CC)S(=O)(=O)NCc1ccco1
InChIInChI=1S/C10H17NO3S/c1-3-10(4-2)15(12,13)11-8-9-6-5-7-14-9/h5-7,10-11H,3-4,8H2,1-2H3
InChIKeyBHWKFCWJYLJJHZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.89
Rot. Bonds6

About N-(furan-2-ylmethyl)pentane-3-sulfonamide

N-(furan-2-ylmethyl)pentane-3-sulfonamide (PubChem CID 91190592) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)pentane-3-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)pentane-3-sulfonamide
PubChem CID91190592
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC NameN-(furan-2-ylmethyl)pentane-3-sulfonamide
SMILESCCC(CC)S(=O)(=O)NCc1ccco1
InChIInChI=1S/C10H17NO3S/c1-3-10(4-2)15(12,13)11-8-9-6-5-7-14-9/h5-7,10-11H,3-4,8H2,1-2H3
InChIKeyBHWKFCWJYLJJHZ-UHFFFAOYSA-N
XLogP1.89
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)pentane-3-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)pentane-3-sulfonamide (CID 91190592) is N-(furan-2-ylmethyl)pentane-3-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)pentane-3-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)pentane-3-sulfonamide is CCC(CC)S(=O)(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)pentane-3-sulfonamide?
The InChIKey is BHWKFCWJYLJJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-3-10(4-2)15(12,13)11-8-9-6-5-7-14-9/h5-7,10-11H,3-4,8H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)pentane-3-sulfonamide?
N-(furan-2-ylmethyl)pentane-3-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)pentane-3-sulfonamide is sourced from PubChem (CID 91190592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).