(2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide

C14H29N3O3S — CID 97475211

IUPAC(2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
SMILESCCOC[C@@H]1CCC2(CCN(S(=O)(=O)N(C)C)CC2)N1C
InChIInChI=1S/C14H29N3O3S/c1-5-20-12-13-6-7-14(16(13)4)8-10-17(11-9-14)21(18,19)15(2)3/h13H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyAVTOHHVHEGDGNU-ZDUSSCGKSA-N
MW319.47 g/mol
LogP0.76
Rot. Bonds5

About (2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide

(2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide (PubChem CID 97475211) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is (2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide.

Molecular Properties

Compound Name(2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
PubChem CID97475211
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name(2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
SMILESCCOC[C@@H]1CCC2(CCN(S(=O)(=O)N(C)C)CC2)N1C
InChIInChI=1S/C14H29N3O3S/c1-5-20-12-13-6-7-14(16(13)4)8-10-17(11-9-14)21(18,19)15(2)3/h13H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyAVTOHHVHEGDGNU-ZDUSSCGKSA-N
XLogP0.76
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide?
The IUPAC name of (2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide (CID 97475211) is (2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide.
What is the SMILES notation for (2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide?
The canonical SMILES for (2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide is CCOC[C@@H]1CCC2(CCN(S(=O)(=O)N(C)C)CC2)N1C.
What is the InChIKey of (2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide?
The InChIKey is AVTOHHVHEGDGNU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-5-20-12-13-6-7-14(16(13)4)8-10-17(11-9-14)21(18,19)15(2)3/h13H,5-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide?
(2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide is sourced from PubChem (CID 97475211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).