1-thiomorpholin-4-ylbutan-2-amine

C8H18N2S — CID 43649737

IUPAC1-thiomorpholin-4-ylbutan-2-amine
SMILESCCC(N)CN1CCSCC1
InChIInChI=1S/C8H18N2S/c1-2-8(9)7-10-3-5-11-6-4-10/h8H,2-7,9H2,1H3
InChIKeyLIKRYATWUZAHHX-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.77
Rot. Bonds3

About 1-thiomorpholin-4-ylbutan-2-amine

1-thiomorpholin-4-ylbutan-2-amine (PubChem CID 43649737) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-thiomorpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-thiomorpholin-4-ylbutan-2-amine
PubChem CID43649737
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name1-thiomorpholin-4-ylbutan-2-amine
SMILESCCC(N)CN1CCSCC1
InChIInChI=1S/C8H18N2S/c1-2-8(9)7-10-3-5-11-6-4-10/h8H,2-7,9H2,1H3
InChIKeyLIKRYATWUZAHHX-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiomorpholin-4-ylpropan-1-amine
CID 19106744
1-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 45791268
(3S)-4-[(2R)-2-amino-3-methylbutyl]thiomorpholine-3-carbonitrile
CID 91351827
4-Methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 60810555
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-2-amine
CID 61647909
1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62558863
1,1,1-Trifluoro-2-(3-methylthiomorpholin-4-yl)pentan-3-amine
CID 64039717
4,4,4-Trifluoro-3-(3-methylthiomorpholin-4-yl)butan-2-amine
CID 64040126
2-(3-methylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64052633
2-(2,6-Dimethylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine
CID 64114890
2-(2,6-Dimethylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine
CID 64115923

Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-4-ylbutan-2-amine?
The IUPAC name of 1-thiomorpholin-4-ylbutan-2-amine (CID 43649737) is 1-thiomorpholin-4-ylbutan-2-amine.
What is the SMILES notation for 1-thiomorpholin-4-ylbutan-2-amine?
The canonical SMILES for 1-thiomorpholin-4-ylbutan-2-amine is CCC(N)CN1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-ylbutan-2-amine?
The InChIKey is LIKRYATWUZAHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-2-8(9)7-10-3-5-11-6-4-10/h8H,2-7,9H2,1H3.
What are the key properties of 1-thiomorpholin-4-ylbutan-2-amine?
1-thiomorpholin-4-ylbutan-2-amine has a molecular weight of 174.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-ylbutan-2-amine is sourced from PubChem (CID 43649737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).