3-amino-1-thiomorpholin-4-ylbutan-1-one

C8H16N2OS — CID 60835990

IUPAC3-amino-1-thiomorpholin-4-ylbutan-1-one
SMILESCC(N)CC(=O)N1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-7(9)6-8(11)10-2-4-12-5-3-10/h7H,2-6,9H2,1H3
InChIKeyIWVJHHCPEHYXDL-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.30
Rot. Bonds2

About 3-amino-1-thiomorpholin-4-ylbutan-1-one

3-amino-1-thiomorpholin-4-ylbutan-1-one (PubChem CID 60835990) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-amino-1-thiomorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-thiomorpholin-4-ylbutan-1-one
PubChem CID60835990
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name3-amino-1-thiomorpholin-4-ylbutan-1-one
SMILESCC(N)CC(=O)N1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-7(9)6-8(11)10-2-4-12-5-3-10/h7H,2-6,9H2,1H3
InChIKeyIWVJHHCPEHYXDL-UHFFFAOYSA-N
XLogP0.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
3-amino-1-(2-methylthiomorpholin-4-yl)butan-1-one
CID 115739172
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
3-(4-aminophenyl)-1-thiomorpholin-4-ylbutan-1-one
CID 104502088
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 50988106
3-amino-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)butan-1-one;hydrochloride
CID 119807659
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210684
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 28787387
4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 119695739
3-amino-1-[4-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 63979201
3-amino-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119844153

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-thiomorpholin-4-ylbutan-1-one?
The IUPAC name of 3-amino-1-thiomorpholin-4-ylbutan-1-one (CID 60835990) is 3-amino-1-thiomorpholin-4-ylbutan-1-one.
What is the SMILES notation for 3-amino-1-thiomorpholin-4-ylbutan-1-one?
The canonical SMILES for 3-amino-1-thiomorpholin-4-ylbutan-1-one is CC(N)CC(=O)N1CCSCC1.
What is the InChIKey of 3-amino-1-thiomorpholin-4-ylbutan-1-one?
The InChIKey is IWVJHHCPEHYXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-7(9)6-8(11)10-2-4-12-5-3-10/h7H,2-6,9H2,1H3.
What are the key properties of 3-amino-1-thiomorpholin-4-ylbutan-1-one?
3-amino-1-thiomorpholin-4-ylbutan-1-one has a molecular weight of 188.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-thiomorpholin-4-ylbutan-1-one is sourced from PubChem (CID 60835990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).