N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine

C14H28N2O3S — CID 87053407

IUPACN,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
SMILESCC(C)S(=O)(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C14H28N2O3S/c1-12(2)20(17,18)16-10-13(9-15(3)4)14(11-16)5-7-19-8-6-14/h12-13H,5-11H2,1-4H3
InChIKeyWBZQELUDDUDEMC-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.01
Rot. Bonds4

About N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine

N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine (PubChem CID 87053407) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
PubChem CID87053407
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
SMILESCC(C)S(=O)(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C14H28N2O3S/c1-12(2)20(17,18)16-10-13(9-15(3)4)14(11-16)5-7-19-8-6-14/h12-13H,5-11H2,1-4H3
InChIKeyWBZQELUDDUDEMC-UHFFFAOYSA-N
XLogP1.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine (CID 87053407) is N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine is CC(C)S(=O)(=O)N1CC(CN(C)C)C2(CCOCC2)C1.
What is the InChIKey of N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The InChIKey is WBZQELUDDUDEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12(2)20(17,18)16-10-13(9-15(3)4)14(11-16)5-7-19-8-6-14/h12-13H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine has a molecular weight of 304.46 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine is sourced from PubChem (CID 87053407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).