(2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine

C9H20N2S — CID 28787625

IUPAC(2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine
SMILESCC(C)[C@H](N)CN1CCSCC1
InChIInChI=1S/C9H20N2S/c1-8(2)9(10)7-11-3-5-12-6-4-11/h8-9H,3-7,10H2,1-2H3/t9-/m1/s1
InChIKeyXLXVTKBFVZVEGE-SECBINFHSA-N
MW188.34 g/mol
LogP1.02
Rot. Bonds3

About (2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine

(2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine (PubChem CID 28787625) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is (2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine
PubChem CID28787625
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name(2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine
SMILESCC(C)[C@H](N)CN1CCSCC1
InChIInChI=1S/C9H20N2S/c1-8(2)9(10)7-11-3-5-12-6-4-11/h8-9H,3-7,10H2,1-2H3/t9-/m1/s1
InChIKeyXLXVTKBFVZVEGE-SECBINFHSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine
CID 43199421
3-methyl-4-thiomorpholin-4-ylbutan-1-amine
CID 80544101
3-methyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 65233118
2-methyl-3-thiomorpholin-4-ylpropanenitrile
CID 43174855
1-(3,3-dimethylazetidin-1-yl)-3-methylbutan-2-amine
CID 79677216
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
CID 22689467
1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
CID 43199540
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
CID 112736892
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylbutan-2-amine
CID 43620484
(2S)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-methylbutan-2-amine
CID 124552270
1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine
CID 63621228

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine?
The IUPAC name of (2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine (CID 28787625) is (2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine.
What is the SMILES notation for (2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine?
The canonical SMILES for (2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine is CC(C)[C@H](N)CN1CCSCC1.
What is the InChIKey of (2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine?
The InChIKey is XLXVTKBFVZVEGE-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2S/c1-8(2)9(10)7-11-3-5-12-6-4-11/h8-9H,3-7,10H2,1-2H3/t9-/m1/s1.
What are the key properties of (2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine?
(2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine has a molecular weight of 188.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-thiomorpholin-4-ylbutan-2-amine is sourced from PubChem (CID 28787625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).