2-thiomorpholin-4-ylpentan-1-amine

C9H20N2S — CID 43210653

IUPAC2-thiomorpholin-4-ylpentan-1-amine
SMILESCCCC(CN)N1CCSCC1
InChIInChI=1S/C9H20N2S/c1-2-3-9(8-10)11-4-6-12-7-5-11/h9H,2-8,10H2,1H3
InChIKeyXIPJZOLLZDHSMR-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds4

About 2-thiomorpholin-4-ylpentan-1-amine

2-thiomorpholin-4-ylpentan-1-amine (PubChem CID 43210653) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylpentan-1-amine.

Molecular Properties

Compound Name2-thiomorpholin-4-ylpentan-1-amine
PubChem CID43210653
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-thiomorpholin-4-ylpentan-1-amine
SMILESCCCC(CN)N1CCSCC1
InChIInChI=1S/C9H20N2S/c1-2-3-9(8-10)11-4-6-12-7-5-11/h9H,2-8,10H2,1H3
InChIKeyXIPJZOLLZDHSMR-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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Related Compounds

2-Thiomorpholin-4-ylpropan-1-amine
CID 19106744
3-(Piperidin-1-ylmethyl)-1,4-thiazepane
CID 71300289
1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
1-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 45791268
1-Methyl-N-[3-(methylsulfanyl)propyl]piperidin-4-amine
CID 43216125
1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
1,1,1-Trifluoro-2-(3-methylthiomorpholin-4-yl)pentan-3-amine
CID 64039717
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
3-(2,6-Dimethylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 64116132
(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 102985288

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylpentan-1-amine?
The IUPAC name of 2-thiomorpholin-4-ylpentan-1-amine (CID 43210653) is 2-thiomorpholin-4-ylpentan-1-amine.
What is the SMILES notation for 2-thiomorpholin-4-ylpentan-1-amine?
The canonical SMILES for 2-thiomorpholin-4-ylpentan-1-amine is CCCC(CN)N1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-ylpentan-1-amine?
The InChIKey is XIPJZOLLZDHSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-2-3-9(8-10)11-4-6-12-7-5-11/h9H,2-8,10H2,1H3.
What are the key properties of 2-thiomorpholin-4-ylpentan-1-amine?
2-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 2-thiomorpholin-4-ylpentan-1-amine is sourced from PubChem (CID 43210653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).