(2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine

C9H20N2OS — CID 22689698

IUPAC(2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine
SMILESCSCC[C@H](N)CN1CCOCC1
InChIInChI=1S/C9H20N2OS/c1-13-7-2-9(10)8-11-3-5-12-6-4-11/h9H,2-8,10H2,1H3/t9-/m0/s1
InChIKeyHODXSOHOYBFIKY-VIFPVBQESA-N
MW204.34 g/mol
LogP0.40
Rot. Bonds5

About (2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine

(2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine (PubChem CID 22689698) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is (2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine
PubChem CID22689698
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name(2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine
SMILESCSCC[C@H](N)CN1CCOCC1
InChIInChI=1S/C9H20N2OS/c1-13-7-2-9(10)8-11-3-5-12-6-4-11/h9H,2-8,10H2,1H3/t9-/m0/s1
InChIKeyHODXSOHOYBFIKY-VIFPVBQESA-N
XLogP0.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine
CID 22689697
1-morpholin-4-ylhexan-2-amine
CID 60852253
1-(4-methyl-1,4-diazepan-1-yl)-4-methylsulfanylbutan-2-amine
CID 102550722
(2R)-3-morpholin-4-ylpropane-1,2-diamine
CID 50989617
(2S)-4-methyl-1-morpholin-4-ylpentan-2-amine
CID 18649577
(4S)-4-amino-5-morpholin-4-ylpentanoic acid
CID 97055085
1-morpholin-4-ylpropan-2-yl (2S)-2-(methylamino)-4-methylsulfanylbutanoate
CID 59117409
4-(3-methylsulfanylpropyl)morpholine
CID 2247110
(2S,3S)-3-amino-5-methylsulfanyl-2-morpholin-4-ylpentanenitrile
CID 101085416
4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 103087400
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfanylbutan-2-amine
CID 22689717
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
CID 61430245

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine?
The IUPAC name of (2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine (CID 22689698) is (2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for (2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine?
The canonical SMILES for (2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine is CSCC[C@H](N)CN1CCOCC1.
What is the InChIKey of (2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine?
The InChIKey is HODXSOHOYBFIKY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2OS/c1-13-7-2-9(10)8-11-3-5-12-6-4-11/h9H,2-8,10H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine?
(2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine has a molecular weight of 204.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 22689698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).