2-methyl-5-thiomorpholin-4-ylpentan-1-amine

C10H22N2S — CID 82017096

IUPAC2-methyl-5-thiomorpholin-4-ylpentan-1-amine
SMILESCC(CN)CCCN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-10(9-11)3-2-4-12-5-7-13-8-6-12/h10H,2-9,11H2,1H3
InChIKeyPOZCFKIUWBKKME-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.41
Rot. Bonds5

About 2-methyl-5-thiomorpholin-4-ylpentan-1-amine

2-methyl-5-thiomorpholin-4-ylpentan-1-amine (PubChem CID 82017096) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-methyl-5-thiomorpholin-4-ylpentan-1-amine.

Molecular Properties

Compound Name2-methyl-5-thiomorpholin-4-ylpentan-1-amine
PubChem CID82017096
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-methyl-5-thiomorpholin-4-ylpentan-1-amine
SMILESCC(CN)CCCN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-10(9-11)3-2-4-12-5-7-13-8-6-12/h10H,2-9,11H2,1H3
InChIKeyPOZCFKIUWBKKME-UHFFFAOYSA-N
XLogP1.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiomorpholin-4-ylpentan-1-amine?
The IUPAC name of 2-methyl-5-thiomorpholin-4-ylpentan-1-amine (CID 82017096) is 2-methyl-5-thiomorpholin-4-ylpentan-1-amine.
What is the SMILES notation for 2-methyl-5-thiomorpholin-4-ylpentan-1-amine?
The canonical SMILES for 2-methyl-5-thiomorpholin-4-ylpentan-1-amine is CC(CN)CCCN1CCSCC1.
What is the InChIKey of 2-methyl-5-thiomorpholin-4-ylpentan-1-amine?
The InChIKey is POZCFKIUWBKKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-10(9-11)3-2-4-12-5-7-13-8-6-12/h10H,2-9,11H2,1H3.
What are the key properties of 2-methyl-5-thiomorpholin-4-ylpentan-1-amine?
2-methyl-5-thiomorpholin-4-ylpentan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiomorpholin-4-ylpentan-1-amine is sourced from PubChem (CID 82017096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).