N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

C15H27NO2S — CID 105017661

IUPACN-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESCNC(C1CCOC2(CCSC2)C1)C1CCC(C)O1
InChIInChI=1S/C15H27NO2S/c1-11-3-4-13(18-11)14(16-2)12-5-7-17-15(9-12)6-8-19-10-15/h11-14,16H,3-10H2,1-2H3
InChIKeyVPFLUUAPJPMKGV-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.44
Rot. Bonds3

About N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105017661) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
PubChem CID105017661
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESCNC(C1CCOC2(CCSC2)C1)C1CCC(C)O1
InChIInChI=1S/C15H27NO2S/c1-11-3-4-13(18-11)14(16-2)12-5-7-17-15(9-12)6-8-19-10-15/h11-14,16H,3-10H2,1-2H3
InChIKeyVPFLUUAPJPMKGV-UHFFFAOYSA-N
XLogP2.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 107004814
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105018040
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457
N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79908697
N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105017704
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685
2,2-diethoxy-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911289
N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 105016221
N-[(3-methyloxolan-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105017744
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80626644
N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79906952

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (CID 105017661) is N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is CNC(C1CCOC2(CCSC2)C1)C1CCC(C)O1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is VPFLUUAPJPMKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-11-3-4-13(18-11)14(16-2)12-5-7-17-15(9-12)6-8-19-10-15/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 285.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105017661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).