N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide

C15H28N2O4S — CID 95635324

IUPACN-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCCO[C@H]1C[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C12CCCC2
InChIInChI=1S/C15H28N2O4S/c1-5-21-13-10-12(15(13)8-6-7-9-15)17(3)14(18)11-16(2)22(4,19)20/h12-13H,5-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyNJFRPMHHCXWWKN-STQMWFEESA-N
MW332.47 g/mol
LogP1.07
Rot. Bonds6

About N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide

N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 95635324) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID95635324
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC NameN-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCCO[C@H]1C[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C12CCCC2
InChIInChI=1S/C15H28N2O4S/c1-5-21-13-10-12(15(13)8-6-7-9-15)17(3)14(18)11-16(2)22(4,19)20/h12-13H,5-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyNJFRPMHHCXWWKN-STQMWFEESA-N
XLogP1.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide with MolForge

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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
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N-methyl-2-(methylamino)acetamide
CID 120705060
2-(cyclopropylmethylamino)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylacetamide
CID 119800300
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186359
(2S)-2-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylpropanamide;hydrochloride
CID 119333090
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride
CID 119335024
2-(1,3-dioxan-2-yl)-N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methylacetamide
CID 124740198
2-(1,3-dioxan-2-yl)-N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methylacetamide
CID 124740197
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride
CID 119803589
(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
CID 99774644
N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119939729

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide (CID 95635324) is N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide is CCO[C@H]1C[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C12CCCC2.
What is the InChIKey of N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is NJFRPMHHCXWWKN-STQMWFEESA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-5-21-13-10-12(15(13)8-6-7-9-15)17(3)14(18)11-16(2)22(4,19)20/h12-13H,5-11H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 332.47 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 95635324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).