2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one

C15H28N2OS — CID 119807658

IUPAC2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCSC2(CCCCC2)C1
InChIInChI=1S/C15H28N2OS/c1-3-12(2)13(16)14(18)17-9-10-19-15(11-17)7-5-4-6-8-15/h12-13H,3-11,16H2,1-2H3
InChIKeyGSPMEIFOFUXVCX-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.64
Rot. Bonds3

About 2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one

2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one (PubChem CID 119807658) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one
PubChem CID119807658
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCSC2(CCCCC2)C1
InChIInChI=1S/C15H28N2OS/c1-3-12(2)13(16)14(18)17-9-10-19-15(11-17)7-5-4-6-8-15/h12-13H,3-11,16H2,1-2H3
InChIKeyGSPMEIFOFUXVCX-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119784774
3-amino-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)butan-1-one;hydrochloride
CID 119807659
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
CID 62931087
2-amino-3-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 61419316
(2S)-2-amino-3-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 61419045
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119794424
(1-aminocyclopropyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 119807614
1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164336
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 107219570
2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide
CID 71976192

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one?
The IUPAC name of 2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one (CID 119807658) is 2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one is CCC(C)C(N)C(=O)N1CCSC2(CCCCC2)C1.
What is the InChIKey of 2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one?
The InChIKey is GSPMEIFOFUXVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-3-12(2)13(16)14(18)17-9-10-19-15(11-17)7-5-4-6-8-15/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one?
2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one has a molecular weight of 284.47 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one is sourced from PubChem (CID 119807658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).