N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide

C14H21NO4S2 — CID 8698737

IUPACN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)s1
InChIInChI=1S/C14H21NO4S2/c1-11-5-6-13(20-11)21(16,17)15-9-12-10-18-14(19-12)7-3-2-4-8-14/h5-6,12,15H,2-4,7-10H2,1H3/t12-/m1/s1
InChIKeyIUFDFOAURJQGLO-GFCCVEGCSA-N
MW331.46 g/mol
LogP2.41
Rot. Bonds4

About N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 8698737) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide
PubChem CID8698737
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)s1
InChIInChI=1S/C14H21NO4S2/c1-11-5-6-13(20-11)21(16,17)15-9-12-10-18-14(19-12)7-3-2-4-8-14/h5-6,12,15H,2-4,7-10H2,1H3/t12-/m1/s1
InChIKeyIUFDFOAURJQGLO-GFCCVEGCSA-N
XLogP2.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide (CID 8698737) is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)s1.
What is the InChIKey of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is IUFDFOAURJQGLO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-11-5-6-13(20-11)21(16,17)15-9-12-10-18-14(19-12)7-3-2-4-8-14/h5-6,12,15H,2-4,7-10H2,1H3/t12-/m1/s1.
What are the key properties of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide?
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 331.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 8698737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).