N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide

C14H28N2O4S — CID 61014235

IUPACN-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC1CCC2(CC1)OCCO2)S(C)(=O)=O
InChIInChI=1S/C14H28N2O4S/c1-3-16(21(2,17)18)10-4-9-15-13-5-7-14(8-6-13)19-11-12-20-14/h13,15H,3-12H2,1-2H3
InChIKeyPWFDQRIADFSAJG-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.93
Rot. Bonds7

About N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide

N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide (PubChem CID 61014235) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide
PubChem CID61014235
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC NameN-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC1CCC2(CC1)OCCO2)S(C)(=O)=O
InChIInChI=1S/C14H28N2O4S/c1-3-16(21(2,17)18)10-4-9-15-13-5-7-14(8-6-13)19-11-12-20-14/h13,15H,3-12H2,1-2H3
InChIKeyPWFDQRIADFSAJG-UHFFFAOYSA-N
XLogP0.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide (CID 61014235) is N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide is CCN(CCCNC1CCC2(CC1)OCCO2)S(C)(=O)=O.
What is the InChIKey of N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide?
The InChIKey is PWFDQRIADFSAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-3-16(21(2,17)18)10-4-9-15-13-5-7-14(8-6-13)19-11-12-20-14/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide?
N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide has a molecular weight of 320.46 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 61014235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).