N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine

C16H25N3O3S — CID 87053405

IUPACN,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
SMILESCN(C)CC1CN(S(=O)(=O)c2cccnc2)CC12CCOCC2
InChIInChI=1S/C16H25N3O3S/c1-18(2)11-14-12-19(13-16(14)5-8-22-9-6-16)23(20,21)15-4-3-7-17-10-15/h3-4,7,10,14H,5-6,8-9,11-13H2,1-2H3
InChIKeyUKYQLHVMKRGNAE-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.06
Rot. Bonds4

About N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine

N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine (PubChem CID 87053405) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
PubChem CID87053405
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
SMILESCN(C)CC1CN(S(=O)(=O)c2cccnc2)CC12CCOCC2
InChIInChI=1S/C16H25N3O3S/c1-18(2)11-14-12-19(13-16(14)5-8-22-9-6-16)23(20,21)15-4-3-7-17-10-15/h3-4,7,10,14H,5-6,8-9,11-13H2,1-2H3
InChIKeyUKYQLHVMKRGNAE-UHFFFAOYSA-N
XLogP1.06
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine (CID 87053405) is N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine is CN(C)CC1CN(S(=O)(=O)c2cccnc2)CC12CCOCC2.
What is the InChIKey of N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The InChIKey is UKYQLHVMKRGNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18(2)11-14-12-19(13-16(14)5-8-22-9-6-16)23(20,21)15-4-3-7-17-10-15/h3-4,7,10,14H,5-6,8-9,11-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine has a molecular weight of 339.46 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-pyridin-3-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine is sourced from PubChem (CID 87053405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).