N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C15H30N2O3S — CID 64865234

IUPACN-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCOC1CC(NCC(C)(C)NS(C)(=O)=O)C12CCCC2
InChIInChI=1S/C15H30N2O3S/c1-5-20-13-10-12(15(13)8-6-7-9-15)16-11-14(2,3)17-21(4,18)19/h12-13,16-17H,5-11H2,1-4H3
InChIKeyJRHZTSXFBKMXHB-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.64
Rot. Bonds7

About N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 64865234) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID64865234
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCOC1CC(NCC(C)(C)NS(C)(=O)=O)C12CCCC2
InChIInChI=1S/C15H30N2O3S/c1-5-20-13-10-12(15(13)8-6-7-9-15)16-11-14(2,3)17-21(4,18)19/h12-13,16-17H,5-11H2,1-4H3
InChIKeyJRHZTSXFBKMXHB-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 64865234) is N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CCOC1CC(NCC(C)(C)NS(C)(=O)=O)C12CCCC2.
What is the InChIKey of N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is JRHZTSXFBKMXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-5-20-13-10-12(15(13)8-6-7-9-15)16-11-14(2,3)17-21(4,18)19/h12-13,16-17H,5-11H2,1-4H3.
What are the key properties of N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 64865234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).