2-propyl-2-thiomorpholin-4-ylpentan-1-amine

C12H26N2S — CID 28787106

IUPAC2-propyl-2-thiomorpholin-4-ylpentan-1-amine
SMILESCCCC(CN)(CCC)N1CCSCC1
InChIInChI=1S/C12H26N2S/c1-3-5-12(11-13,6-4-2)14-7-9-15-10-8-14/h3-11,13H2,1-2H3
InChIKeyIWPDIHRXYLVLEX-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.33
Rot. Bonds6

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

2-propyl-2-thiomorpholin-4-ylpentan-1-amine (PubChem CID 28787106) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2-propyl-2-thiomorpholin-4-ylpentan-1-amine.

Molecular Properties

Compound Name2-propyl-2-thiomorpholin-4-ylpentan-1-amine
PubChem CID28787106
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2-propyl-2-thiomorpholin-4-ylpentan-1-amine
SMILESCCCC(CN)(CCC)N1CCSCC1
InChIInChI=1S/C12H26N2S/c1-3-5-12(11-13,6-4-2)14-7-9-15-10-8-14/h3-11,13H2,1-2H3
InChIKeyIWPDIHRXYLVLEX-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-thiomorpholin-4-ylpentan-1-amine?
The IUPAC name of 2-propyl-2-thiomorpholin-4-ylpentan-1-amine (CID 28787106) is 2-propyl-2-thiomorpholin-4-ylpentan-1-amine.
What is the SMILES notation for 2-propyl-2-thiomorpholin-4-ylpentan-1-amine?
The canonical SMILES for 2-propyl-2-thiomorpholin-4-ylpentan-1-amine is CCCC(CN)(CCC)N1CCSCC1.
What is the InChIKey of 2-propyl-2-thiomorpholin-4-ylpentan-1-amine?
The InChIKey is IWPDIHRXYLVLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-3-5-12(11-13,6-4-2)14-7-9-15-10-8-14/h3-11,13H2,1-2H3.
What are the key properties of 2-propyl-2-thiomorpholin-4-ylpentan-1-amine?
2-propyl-2-thiomorpholin-4-ylpentan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-thiomorpholin-4-ylpentan-1-amine is sourced from PubChem (CID 28787106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).