3-thiomorpholin-4-ylpentan-1-amine

C9H20N2S — CID 43530829

IUPAC3-thiomorpholin-4-ylpentan-1-amine
SMILESCCC(CCN)N1CCSCC1
InChIInChI=1S/C9H20N2S/c1-2-9(3-4-10)11-5-7-12-8-6-11/h9H,2-8,10H2,1H3
InChIKeyPVFGWWDTUXIRCI-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds4

About 3-thiomorpholin-4-ylpentan-1-amine

3-thiomorpholin-4-ylpentan-1-amine (PubChem CID 43530829) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-thiomorpholin-4-ylpentan-1-amine.

Molecular Properties

Compound Name3-thiomorpholin-4-ylpentan-1-amine
PubChem CID43530829
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name3-thiomorpholin-4-ylpentan-1-amine
SMILESCCC(CCN)N1CCSCC1
InChIInChI=1S/C9H20N2S/c1-2-9(3-4-10)11-5-7-12-8-6-11/h9H,2-8,10H2,1H3
InChIKeyPVFGWWDTUXIRCI-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiomorpholin-4-ylpentan-1-amine?
The IUPAC name of 3-thiomorpholin-4-ylpentan-1-amine (CID 43530829) is 3-thiomorpholin-4-ylpentan-1-amine.
What is the SMILES notation for 3-thiomorpholin-4-ylpentan-1-amine?
The canonical SMILES for 3-thiomorpholin-4-ylpentan-1-amine is CCC(CCN)N1CCSCC1.
What is the InChIKey of 3-thiomorpholin-4-ylpentan-1-amine?
The InChIKey is PVFGWWDTUXIRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-2-9(3-4-10)11-5-7-12-8-6-11/h9H,2-8,10H2,1H3.
What are the key properties of 3-thiomorpholin-4-ylpentan-1-amine?
3-thiomorpholin-4-ylpentan-1-amine has a molecular weight of 188.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiomorpholin-4-ylpentan-1-amine is sourced from PubChem (CID 43530829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).