N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide

C13H23NO5S2 — CID 155963814

IUPACN-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide
SMILESCOCC1(S(=O)(=O)NS(=O)(=O)C2CC3(CCCC3)C2)CC1
InChIInChI=1S/C13H23NO5S2/c1-19-10-13(6-7-13)21(17,18)14-20(15,16)11-8-12(9-11)4-2-3-5-12/h11,14H,2-10H2,1H3
InChIKeyDYXBHHTVCNWQAG-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.14
Rot. Bonds6

About N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide

N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide (PubChem CID 155963814) has the molecular formula C13H23NO5S2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide
PubChem CID155963814
Molecular FormulaC13H23NO5S2
Molecular Weight337.46 g/mol
Exact Mass337.10
IUPAC NameN-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide
SMILESCOCC1(S(=O)(=O)NS(=O)(=O)C2CC3(CCCC3)C2)CC1
InChIInChI=1S/C13H23NO5S2/c1-19-10-13(6-7-13)21(17,18)14-20(15,16)11-8-12(9-11)4-2-3-5-12/h11,14H,2-10H2,1H3
InChIKeyDYXBHHTVCNWQAG-UHFFFAOYSA-N
XLogP1.14
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propylspiro[3.3]heptane-2-sulfonamide
CID 154623494
2-methoxyspiro[3.5]nonane
CID 162724743
4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid
CID 122068754
2-methoxy-N-spiro[3.3]heptan-2-ylacetamide
CID 164661164
4-cyclopentyloxy-1-[1-(methoxymethyl)cyclopropyl]sulfonylpiperidine
CID 128570141
2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid
CID 167886681
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide
CID 167882856
4-ethylsulfonyl-4-(methoxymethyl)piperidine
CID 99997180
N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 122566407
(2R)-N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 125443450
2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine
CID 65009357

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide?
The IUPAC name of N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide (CID 155963814) is N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide is COCC1(S(=O)(=O)NS(=O)(=O)C2CC3(CCCC3)C2)CC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide?
The InChIKey is DYXBHHTVCNWQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S2/c1-19-10-13(6-7-13)21(17,18)14-20(15,16)11-8-12(9-11)4-2-3-5-12/h11,14H,2-10H2,1H3.
What are the key properties of N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide?
N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide has a molecular weight of 337.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclopropyl]sulfonylspiro[3.4]octane-2-sulfonamide is sourced from PubChem (CID 155963814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).