2-Thiomorpholin-4-ylpropan-1-amine

C7H16N2S — CID 19106744

IUPAC2-thiomorpholin-4-ylpropan-1-amine
SMILESCC(CN)N1CCSCC1
InChIInChI=1S/C7H16N2S/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6,8H2,1H3
InChIKeyVXVUATZNEXVGJK-UHFFFAOYSA-N
MW160.28 g/mol
LogP0.20
Rot. Bonds2

About 2-Thiomorpholin-4-ylpropan-1-amine

2-Thiomorpholin-4-ylpropan-1-amine (PubChem CID 19106744) has the molecular formula C7H16N2S and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-Thiomorpholin-4-ylpropan-1-amine
PubChem CID19106744
Molecular FormulaC7H16N2S
Molecular Weight160.28 g/mol
Exact Mass160.10
IUPAC Name2-thiomorpholin-4-ylpropan-1-amine
SMILESCC(CN)N1CCSCC1
InChIInChI=1S/C7H16N2S/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6,8H2,1H3
InChIKeyVXVUATZNEXVGJK-UHFFFAOYSA-N
XLogP0.20
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity91

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-Thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 2-Thiomorpholin-4-ylpropan-1-amine (CID 19106744) is 2-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 2-Thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 2-Thiomorpholin-4-ylpropan-1-amine is CC(CN)N1CCSCC1.
What is the InChIKey of 2-Thiomorpholin-4-ylpropan-1-amine?
The InChIKey is VXVUATZNEXVGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6,8H2,1H3.
What are the key properties of 2-Thiomorpholin-4-ylpropan-1-amine?
2-Thiomorpholin-4-ylpropan-1-amine has a molecular weight of 160.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 19106744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).