(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane

C12H24N2O3S — CID 99774644

IUPAC(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
SMILESCCO[C@H]1C[C@H](N(C)S(N)(=O)=O)C12CCCCC2
InChIInChI=1S/C12H24N2O3S/c1-3-17-11-9-10(14(2)18(13,15)16)12(11)7-5-4-6-8-12/h10-11H,3-9H2,1-2H3,(H2,13,15,16)/t10-,11-/m0/s1
InChIKeyUPHYDASEEPLCAW-QWRGUYRKSA-N
MW276.40 g/mol
LogP1.25
Rot. Bonds4

About (1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane

(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane (PubChem CID 99774644) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is (1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane.

Molecular Properties

Compound Name(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
PubChem CID99774644
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
SMILESCCO[C@H]1C[C@H](N(C)S(N)(=O)=O)C12CCCCC2
InChIInChI=1S/C12H24N2O3S/c1-3-17-11-9-10(14(2)18(13,15)16)12(11)7-5-4-6-8-12/h10-11H,3-9H2,1-2H3,(H2,13,15,16)/t10-,11-/m0/s1
InChIKeyUPHYDASEEPLCAW-QWRGUYRKSA-N
XLogP1.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride
CID 120563393
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 95635324
(2S)-2-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylpropanamide;hydrochloride
CID 119333090
1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone
CID 102558006
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride
CID 119335024
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride
CID 119803589
4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid
CID 119138143
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186359
4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide
CID 124683871

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane?
The IUPAC name of (1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane (CID 99774644) is (1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane.
What is the SMILES notation for (1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane?
The canonical SMILES for (1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane is CCO[C@H]1C[C@H](N(C)S(N)(=O)=O)C12CCCCC2.
What is the InChIKey of (1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane?
The InChIKey is UPHYDASEEPLCAW-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-17-11-9-10(14(2)18(13,15)16)12(11)7-5-4-6-8-12/h10-11H,3-9H2,1-2H3,(H2,13,15,16)/t10-,11-/m0/s1.
What are the key properties of (1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane?
(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane has a molecular weight of 276.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane is sourced from PubChem (CID 99774644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).