N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine

C17H29N3O2S — CID 124520064

IUPACN-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine
SMILESCC(C)N(C)C[C@H]1CC[C@@]2(COCCN(Cc3nccs3)C2)O1
InChIInChI=1S/C17H29N3O2S/c1-14(2)19(3)10-15-4-5-17(22-15)12-20(7-8-21-13-17)11-16-18-6-9-23-16/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3/t15-,17-/m1/s1
InChIKeyLDYPMYJAQNSMST-NVXWUHKLSA-N
MW339.50 g/mol
LogP2.23
Rot. Bonds5

About N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine

N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine (PubChem CID 124520064) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine
PubChem CID124520064
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC NameN-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine
SMILESCC(C)N(C)C[C@H]1CC[C@@]2(COCCN(Cc3nccs3)C2)O1
InChIInChI=1S/C17H29N3O2S/c1-14(2)19(3)10-15-4-5-17(22-15)12-20(7-8-21-13-17)11-16-18-6-9-23-16/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3/t15-,17-/m1/s1
InChIKeyLDYPMYJAQNSMST-NVXWUHKLSA-N
XLogP2.23
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

2-(morpholin-4-ylmethyl)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 131645999
N-methyl-N-[[(3R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]propan-2-amine
CID 98814668
N-methyl-N-[[(2S,5S)-7-[(5-methylthiophen-2-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine
CID 98814893
2-(morpholin-4-ylmethyl)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155838090
N,N-dimethyl-1-[7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methanamine
CID 131644529
N,N-dimethyl-1-[(2R,5R)-7-[(5-methylfuran-2-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methanamine
CID 97375448
1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine
CID 131660008
(5R)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384852
N-[[(5R,7R)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97474642
N-methyl-N-[[(3R,5S)-7-(pyridin-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]propan-2-amine
CID 124519988
(2S,5S)-2-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 124910899
(2R,5S)-2-(morpholin-4-ylmethyl)-7-(pyridin-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 97375510

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine (CID 124520064) is N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine is CC(C)N(C)C[C@H]1CC[C@@]2(COCCN(Cc3nccs3)C2)O1.
What is the InChIKey of N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine?
The InChIKey is LDYPMYJAQNSMST-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-14(2)19(3)10-15-4-5-17(22-15)12-20(7-8-21-13-17)11-16-18-6-9-23-16/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3/t15-,17-/m1/s1.
What are the key properties of N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine?
N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine has a molecular weight of 339.50 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 124520064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).