1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one

C8H15N3OS — CID 141162752

IUPAC1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1C(=O)NC(S)C12CCNCC2
InChIInChI=1S/C8H15N3OS/c1-11-7(12)10-6(13)8(11)2-4-9-5-3-8/h6,9,13H,2-5H2,1H3,(H,10,12)
InChIKeyGFPFJYLRBLKLRE-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.02
Rot. Bonds

About 1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one

1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 141162752) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID141162752
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1C(=O)NC(S)C12CCNCC2
InChIInChI=1S/C8H15N3OS/c1-11-7(12)10-6(13)8(11)2-4-9-5-3-8/h6,9,13H,2-5H2,1H3,(H,10,12)
InChIKeyGFPFJYLRBLKLRE-UHFFFAOYSA-N
XLogP0.02
TPSA44.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 66570377
1-methyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 121229674
1-methyl-4-sulfanylidene-1,3,8-triazaspiro[4.5]decan-2-one
CID 154381119
2-sulfanyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 175854688
2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride
CID 135392414
1-methyl-1,3,9-triazaspiro[4.6]undecane-2,4-dione
CID 83880106
4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 138039858
2-methyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 89310977
1-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 83873875
6-propylspiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one
CID 154575046
1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol
CID 105494683
[(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate
CID 118738545

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 141162752) is 1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one is CN1C(=O)NC(S)C12CCNCC2.
What is the InChIKey of 1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is GFPFJYLRBLKLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-11-7(12)10-6(13)8(11)2-4-9-5-3-8/h6,9,13H,2-5H2,1H3,(H,10,12).
What are the key properties of 1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one?
1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 201.29 g/mol, XLogP of 0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-sulfanyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 141162752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).