2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine

C12H26N2S — CID 43210638

IUPAC2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine
SMILESCC(C)CCC(C)(CN)N1CCSCC1
InChIInChI=1S/C12H26N2S/c1-11(2)4-5-12(3,10-13)14-6-8-15-9-7-14/h11H,4-10,13H2,1-3H3
InChIKeyIMXZFFITJLNFKE-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.19
Rot. Bonds5

About 2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine

2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine (PubChem CID 43210638) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine
PubChem CID43210638
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine
SMILESCC(C)CCC(C)(CN)N1CCSCC1
InChIInChI=1S/C12H26N2S/c1-11(2)4-5-12(3,10-13)14-6-8-15-9-7-14/h11H,4-10,13H2,1-3H3
InChIKeyIMXZFFITJLNFKE-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine?
The IUPAC name of 2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine (CID 43210638) is 2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine?
The canonical SMILES for 2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine is CC(C)CCC(C)(CN)N1CCSCC1.
What is the InChIKey of 2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine?
The InChIKey is IMXZFFITJLNFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-11(2)4-5-12(3,10-13)14-6-8-15-9-7-14/h11H,4-10,13H2,1-3H3.
What are the key properties of 2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine?
2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-thiomorpholin-4-ylhexan-1-amine is sourced from PubChem (CID 43210638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).