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

C11H22N2OS — CID 103797336

IUPAC(2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one
SMILESCCC[C@@H](N)C(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C11H22N2OS/c1-4-5-9(12)10(14)13-6-7-15-11(2,3)8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeyVAUCWPQIFRRTLF-SECBINFHSA-N
MW230.38 g/mol
LogP1.47
Rot. Bonds3

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

(2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one (PubChem CID 103797336) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one
PubChem CID103797336
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one
SMILESCCC[C@@H](N)C(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C11H22N2OS/c1-4-5-9(12)10(14)13-6-7-15-11(2,3)8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeyVAUCWPQIFRRTLF-SECBINFHSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(7,7-dimethyl-1,4-thiazepan-4-yl)pentan-1-one
CID 107571032
3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride
CID 120501117
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 70304364
2-amino-1-(3,3,4-trimethylpiperazin-1-yl)pentan-1-one
CID 63634228
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130736766
2-bromo-1-(2,2-dimethylthiomorpholin-4-yl)propan-1-one
CID 107905824
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119329695
1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318225
2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
CID 119791877
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride
CID 119791850

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one?
The IUPAC name of (2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one (CID 103797336) is (2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one is CCC[C@@H](N)C(=O)N1CCSC(C)(C)C1.
What is the InChIKey of (2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one?
The InChIKey is VAUCWPQIFRRTLF-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-5-9(12)10(14)13-6-7-15-11(2,3)8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one?
(2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one has a molecular weight of 230.38 g/mol, XLogP of 1.47, 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-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 103797336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).