N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide

C15H30N2O3S — CID 79902855

IUPACN-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNC1CCOC2(CCCC2)C1)S(C)(=O)=O
InChIInChI=1S/C15H30N2O3S/c1-3-17(21(2,18)19)11-6-10-16-14-7-12-20-15(13-14)8-4-5-9-15/h14,16H,3-13H2,1-2H3
InChIKeyNYCUGTNTVDWCPP-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.74
Rot. Bonds7

About N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide

N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide (PubChem CID 79902855) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide
PubChem CID79902855
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNC1CCOC2(CCCC2)C1)S(C)(=O)=O
InChIInChI=1S/C15H30N2O3S/c1-3-17(21(2,18)19)11-6-10-16-14-7-12-20-15(13-14)8-4-5-9-15/h14,16H,3-13H2,1-2H3
InChIKeyNYCUGTNTVDWCPP-UHFFFAOYSA-N
XLogP1.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide (CID 79902855) is N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide is CCN(CCCNC1CCOC2(CCCC2)C1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide?
The InChIKey is NYCUGTNTVDWCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-17(21(2,18)19)11-6-10-16-14-7-12-20-15(13-14)8-4-5-9-15/h14,16H,3-13H2,1-2H3.
What are the key properties of N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide?
N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 79902855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).