N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C18H33NOS — CID 105018040

IUPACN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(C1CCOC2(CCSCC2)C1)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H33NOS/c1-16(2)15(17(16,3)4)14(19-5)13-6-9-20-18(12-13)7-10-21-11-8-18/h13-15,19H,6-12H2,1-5H3
InChIKeyQLSGMBVBWFGGRJ-UHFFFAOYSA-N
MW311.54 g/mol
LogP3.95
Rot. Bonds3

About N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 105018040) has the molecular formula C18H33NOS and a molecular weight of 311.54 g/mol. Its IUPAC name is N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID105018040
Molecular FormulaC18H33NOS
Molecular Weight311.54 g/mol
Exact Mass311.23
IUPAC NameN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(C1CCOC2(CCSCC2)C1)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H33NOS/c1-16(2)15(17(16,3)4)14(19-5)13-6-9-20-18(12-13)7-10-21-11-8-18/h13-15,19H,6-12H2,1-5H3
InChIKeyQLSGMBVBWFGGRJ-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016820
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)ethanamine
CID 79914536
N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914209
N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017661
(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79910538
1-(1,4-dithian-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79965869
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(thian-2-yl)methanamine
CID 80627564
2-methoxy-N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79911973
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiolan-3-yl)methyl]ethanamine
CID 105170844

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 105018040) is N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CNC(C1CCOC2(CCSCC2)C1)C1C(C)(C)C1(C)C.
What is the InChIKey of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is QLSGMBVBWFGGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOS/c1-16(2)15(17(16,3)4)14(19-5)13-6-9-20-18(12-13)7-10-21-11-8-18/h13-15,19H,6-12H2,1-5H3.
What are the key properties of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 311.54 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 105018040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).