N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C17H26N2O3S — CID 118740866

IUPACN,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1cccc(S(=O)(=O)N2CCC3(CC2)CC(N(C)C)CO3)c1
InChIInChI=1S/C17H26N2O3S/c1-14-5-4-6-16(11-14)23(20,21)19-9-7-17(8-10-19)12-15(13-22-17)18(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3
InChIKeySMCUEYWVMRUULD-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.87
Rot. Bonds3

About N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine

N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118740866) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118740866
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1cccc(S(=O)(=O)N2CCC3(CC2)CC(N(C)C)CO3)c1
InChIInChI=1S/C17H26N2O3S/c1-14-5-4-6-16(11-14)23(20,21)19-9-7-17(8-10-19)12-15(13-22-17)18(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3
InChIKeySMCUEYWVMRUULD-UHFFFAOYSA-N
XLogP1.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118740866) is N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine is Cc1cccc(S(=O)(=O)N2CCC3(CC2)CC(N(C)C)CO3)c1.
What is the InChIKey of N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is SMCUEYWVMRUULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-5-4-6-16(11-14)23(20,21)19-9-7-17(8-10-19)12-15(13-22-17)18(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 338.47 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118740866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).