N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine

C17H31NO2S — CID 105017880

IUPACN-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H31NO2S/c1-18-16(6-5-15-4-2-3-9-19-15)14-7-10-20-17(12-14)8-11-21-13-17/h14-16,18H,2-13H2,1H3
InChIKeyONZLQIQIQWNSSQ-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.23
Rot. Bonds5

About N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine

N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 105017880) has the molecular formula C17H31NO2S and a molecular weight of 313.51 g/mol. Its IUPAC name is N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID105017880
Molecular FormulaC17H31NO2S
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC NameN-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H31NO2S/c1-18-16(6-5-15-4-2-3-9-19-15)14-7-10-20-17(12-14)8-11-21-13-17/h14-16,18H,2-13H2,1H3
InChIKeyONZLQIQIQWNSSQ-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(oxolan-2-yl)propan-1-amine
CID 105017697
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanamine
CID 79914621
[3-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propyl]hydrazine
CID 105325937
N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-amine
CID 105170669
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-(oxolan-2-yl)ethanol
CID 79922366
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105325538
[2-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105325944
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
4-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 105170822
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 105017677
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457
N-ethyl-2-methylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914201

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine (CID 105017880) is N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine is CNC(CCC1CCCCO1)C1CCOC2(CCSC2)C1.
What is the InChIKey of N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is ONZLQIQIQWNSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2S/c1-18-16(6-5-15-4-2-3-9-19-15)14-7-10-20-17(12-14)8-11-21-13-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 313.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 105017880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).