N-(4-methylsulfanylbutyl)morpholin-4-amine

C9H20N2OS — CID 103088329

IUPACN-(4-methylsulfanylbutyl)morpholin-4-amine
SMILESCSCCCCNN1CCOCC1
InChIInChI=1S/C9H20N2OS/c1-13-9-3-2-4-10-11-5-7-12-8-6-11/h10H,2-9H2,1H3
InChIKeyPFHXNDMIKSMPLW-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.97
Rot. Bonds6

About N-(4-methylsulfanylbutyl)morpholin-4-amine

N-(4-methylsulfanylbutyl)morpholin-4-amine (PubChem CID 103088329) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)morpholin-4-amine
PubChem CID103088329
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN-(4-methylsulfanylbutyl)morpholin-4-amine
SMILESCSCCCCNN1CCOCC1
InChIInChI=1S/C9H20N2OS/c1-13-9-3-2-4-10-11-5-7-12-8-6-11/h10H,2-9H2,1H3
InChIKeyPFHXNDMIKSMPLW-UHFFFAOYSA-N
XLogP0.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)morpholin-4-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)morpholin-4-amine (CID 103088329) is N-(4-methylsulfanylbutyl)morpholin-4-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)morpholin-4-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)morpholin-4-amine is CSCCCCNN1CCOCC1.
What is the InChIKey of N-(4-methylsulfanylbutyl)morpholin-4-amine?
The InChIKey is PFHXNDMIKSMPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-13-9-3-2-4-10-11-5-7-12-8-6-11/h10H,2-9H2,1H3.
What are the key properties of N-(4-methylsulfanylbutyl)morpholin-4-amine?
N-(4-methylsulfanylbutyl)morpholin-4-amine has a molecular weight of 204.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)morpholin-4-amine is sourced from PubChem (CID 103088329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).