N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide

C11H22N2O4S — CID 28732203

IUPACN-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H22N2O4S/c1-18(14,15)13-7-6-12-10-2-4-11(5-3-10)16-8-9-17-11/h10,12-13H,2-9H2,1H3
InChIKeyUEKPODXZFYPNTP-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.19
Rot. Bonds5

About N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide

N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide (PubChem CID 28732203) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide
PubChem CID28732203
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H22N2O4S/c1-18(14,15)13-7-6-12-10-2-4-11(5-3-10)16-8-9-17-11/h10,12-13H,2-9H2,1H3
InChIKeyUEKPODXZFYPNTP-UHFFFAOYSA-N
XLogP-0.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
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-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide (CID 28732203) is N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide?
The InChIKey is UEKPODXZFYPNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-18(14,15)13-7-6-12-10-2-4-11(5-3-10)16-8-9-17-11/h10,12-13H,2-9H2,1H3.
What are the key properties of N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide?
N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 28732203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).