(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one

C9H18N2O2S — CID 94243526

IUPAC(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one
SMILESCCC[C@@H](N)C(=O)N1CCS(=O)CC1
InChIInChI=1S/C9H18N2O2S/c1-2-3-8(10)9(12)11-4-6-14(13)7-5-11/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyWPQRMZZNTCFLML-MRVPVSSYSA-N
MW218.32 g/mol
LogP-0.30
Rot. Bonds3

About (2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one

(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one (PubChem CID 94243526) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one
PubChem CID94243526
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one
SMILESCCC[C@@H](N)C(=O)N1CCS(=O)CC1
InChIInChI=1S/C9H18N2O2S/c1-2-3-8(10)9(12)11-4-6-14(13)7-5-11/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyWPQRMZZNTCFLML-MRVPVSSYSA-N
XLogP-0.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(1-oxo-1,4-thiazepan-4-yl)butan-1-one
CID 130750177
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate
CID 93469912
4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 93373838
4-(2-aminopentanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 54872852
2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119297853
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628
(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 107568869
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one
CID 107570937
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one?
The IUPAC name of (2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one (CID 94243526) is (2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one?
The canonical SMILES for (2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one is CCC[C@@H](N)C(=O)N1CCS(=O)CC1.
What is the InChIKey of (2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one?
The InChIKey is WPQRMZZNTCFLML-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-3-8(10)9(12)11-4-6-14(13)7-5-11/h8H,2-7,10H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one?
(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one has a molecular weight of 218.32 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one is sourced from PubChem (CID 94243526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).