N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine

C14H23N3OS — CID 118303040

IUPACN,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ncsc1C(N(C)C)N1CCOC2(CCC2)C1
InChIInChI=1S/C14H23N3OS/c1-11-12(19-10-15-11)13(16(2)3)17-7-8-18-14(9-17)5-4-6-14/h10,13H,4-9H2,1-3H3
InChIKeyHEHHSPGPQQGKFY-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.27
Rot. Bonds3

About N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine

N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 118303040) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine
PubChem CID118303040
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ncsc1C(N(C)C)N1CCOC2(CCC2)C1
InChIInChI=1S/C14H23N3OS/c1-11-12(19-10-15-11)13(16(2)3)17-7-8-18-14(9-17)5-4-6-14/h10,13H,4-9H2,1-3H3
InChIKeyHEHHSPGPQQGKFY-UHFFFAOYSA-N
XLogP2.27
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.27
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-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine (CID 118303040) is N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine is Cc1ncsc1C(N(C)C)N1CCOC2(CCC2)C1.
What is the InChIKey of N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is HEHHSPGPQQGKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11-12(19-10-15-11)13(16(2)3)17-7-8-18-14(9-17)5-4-6-14/h10,13H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine?
N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 281.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 118303040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).