N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide

C14H28N2O4S — CID 79902853

IUPACN-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC1CCOC2(CCOC2)C1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O4S/c1-3-16(21(2,17)18)8-4-7-15-13-5-9-20-14(11-13)6-10-19-12-14/h13,15H,3-12H2,1-2H3
InChIKeyHEIBWOKQUITBPC-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.59
Rot. Bonds7

About N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide

N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide (PubChem CID 79902853) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide
PubChem CID79902853
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC NameN-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC1CCOC2(CCOC2)C1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O4S/c1-3-16(21(2,17)18)8-4-7-15-13-5-9-20-14(11-13)6-10-19-12-14/h13,15H,3-12H2,1-2H3
InChIKeyHEIBWOKQUITBPC-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
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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Related Compounds

N-(2,6-dioxaspiro[4.5]decan-9-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79895176
N-ethyl-N-[3-(oxepan-4-ylamino)propyl]methanesulfonamide
CID 65081506
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
CID 79903932
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethylethane-1,2-diamine
CID 79898387
N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897668
N-[3-(cycloheptylamino)propyl]-N-ethylmethanesulfonamide
CID 54903530
N'-cyclopentyl-N-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-methylethane-1,2-diamine
CID 79903270
1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea
CID 129347011
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide
CID 54903580
N-ethyl-N-[3-[(3-methylcyclopentyl)amino]propyl]methanesulfonamide
CID 64502160

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide (CID 79902853) is N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide is CCN(CCCNC1CCOC2(CCOC2)C1)S(C)(=O)=O.
What is the InChIKey of N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide?
The InChIKey is HEIBWOKQUITBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-3-16(21(2,17)18)8-4-7-15-13-5-9-20-14(11-13)6-10-19-12-14/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide?
N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide has a molecular weight of 320.46 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 79902853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).