(4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

C14H20ClNO3S2 — CID 135108992

IUPAC(4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1ccc(Cl)s1)C2
InChIInChI=1S/C14H20ClNO3S2/c1-19-11-4-2-7-14(11)8-3-9-16(10-14)21(17,18)13-6-5-12(15)20-13/h5-6,11H,2-4,7-10H2,1H3/t11-,14-/m1/s1
InChIKeyJRDYYDODTHOAPD-BXUZGUMPSA-N
MW349.91 g/mol
LogP3.37
Rot. Bonds3

About (4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

(4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane (PubChem CID 135108992) has the molecular formula C14H20ClNO3S2 and a molecular weight of 349.91 g/mol. Its IUPAC name is (4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
PubChem CID135108992
Molecular FormulaC14H20ClNO3S2
Molecular Weight349.91 g/mol
Exact Mass349.06
IUPAC Name(4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1ccc(Cl)s1)C2
InChIInChI=1S/C14H20ClNO3S2/c1-19-11-4-2-7-14(11)8-3-9-16(10-14)21(17,18)13-6-5-12(15)20-13/h5-6,11H,2-4,7-10H2,1H3/t11-,14-/m1/s1
InChIKeyJRDYYDODTHOAPD-BXUZGUMPSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane with MolForge

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Related Compounds

5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole
CID 135089894
4-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]benzoic acid
CID 135113090
(4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
CID 135104842
(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane
CID 135108128
(4R,5R)-4-methoxy-7-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-7-azaspiro[4.5]decane
CID 135118639
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]-4-methylbenzoic acid
CID 135107118
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95267954
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine
CID 59324498
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde
CID 63845902
(3R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088130

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane (CID 135108992) is (4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane is CO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1ccc(Cl)s1)C2.
What is the InChIKey of (4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane?
The InChIKey is JRDYYDODTHOAPD-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20ClNO3S2/c1-19-11-4-2-7-14(11)8-3-9-16(10-14)21(17,18)13-6-5-12(15)20-13/h5-6,11H,2-4,7-10H2,1H3/t11-,14-/m1/s1.
What are the key properties of (4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane?
(4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane has a molecular weight of 349.91 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane is sourced from PubChem (CID 135108992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).