(9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol

C9H18N2OS — CID 123337041

IUPAC(9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol
SMILESCN1CCCC2(C1)OCCN2CS
InChIInChI=1S/C9H18N2OS/c1-10-4-2-3-9(7-10)11(8-13)5-6-12-9/h13H,2-8H2,1H3
InChIKeyHGIFAYRSMNMQII-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.63
Rot. Bonds1

About (9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol

(9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol (PubChem CID 123337041) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol.

Molecular Properties

Compound Name(9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol
PubChem CID123337041
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol
SMILESCN1CCCC2(C1)OCCN2CS
InChIInChI=1S/C9H18N2OS/c1-10-4-2-3-9(7-10)11(8-13)5-6-12-9/h13H,2-8H2,1H3
InChIKeyHGIFAYRSMNMQII-UHFFFAOYSA-N
XLogP0.63
TPSA15.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4R)-8-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 167468548
(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167468674
4-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 23544679
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
8-methyl-5-oxa-8-azaspiro[3.4]octane
CID 123313806
2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol
CID 13270979
(4S,6R)-8-methyl-1-oxa-8-azaspiro[5.5]undecan-4-amine
CID 99110024
ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171845223
9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 166686001
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156
1-ethyl-5-oxa-1-azaspiro[3.4]octane
CID 144689106
7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine
CID 144708001

Frequently Asked Questions

What is the IUPAC name of (9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol?
The IUPAC name of (9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol (CID 123337041) is (9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol.
What is the SMILES notation for (9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol?
The canonical SMILES for (9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol is CN1CCCC2(C1)OCCN2CS.
What is the InChIKey of (9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol?
The InChIKey is HGIFAYRSMNMQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-10-4-2-3-9(7-10)11(8-13)5-6-12-9/h13H,2-8H2,1H3.
What are the key properties of (9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol?
(9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol has a molecular weight of 202.32 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol is sourced from PubChem (CID 123337041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).