4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine

C9H20N2OS — CID 60811515

IUPAC4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine
SMILESCSCCC(CN)N1CCOCC1
InChIInChI=1S/C9H20N2OS/c1-13-7-2-9(8-10)11-3-5-12-6-4-11/h9H,2-8,10H2,1H3
InChIKeySVULHGMEYXKZGE-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.40
Rot. Bonds5

About 4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine

4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine (PubChem CID 60811515) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine
PubChem CID60811515
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine
SMILESCSCCC(CN)N1CCOCC1
InChIInChI=1S/C9H20N2OS/c1-13-7-2-9(8-10)11-3-5-12-6-4-11/h9H,2-8,10H2,1H3
InChIKeySVULHGMEYXKZGE-UHFFFAOYSA-N
XLogP0.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine?
The IUPAC name of 4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine (CID 60811515) is 4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine is CSCCC(CN)N1CCOCC1.
What is the InChIKey of 4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine?
The InChIKey is SVULHGMEYXKZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-13-7-2-9(8-10)11-3-5-12-6-4-11/h9H,2-8,10H2,1H3.
What are the key properties of 4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine?
4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine has a molecular weight of 204.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 60811515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).