2-(3-methoxypropylsulfanyl)cycloheptan-1-amine

C11H23NOS — CID 64625856

IUPAC2-(3-methoxypropylsulfanyl)cycloheptan-1-amine
SMILESCOCCCSC1CCCCCC1N
InChIInChI=1S/C11H23NOS/c1-13-8-5-9-14-11-7-4-2-3-6-10(11)12/h10-11H,2-9,12H2,1H3
InChIKeyFDFYWHMRPUIPKL-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.42
Rot. Bonds5

About 2-(3-methoxypropylsulfanyl)cycloheptan-1-amine

2-(3-methoxypropylsulfanyl)cycloheptan-1-amine (PubChem CID 64625856) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfanyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypropylsulfanyl)cycloheptan-1-amine
PubChem CID64625856
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-(3-methoxypropylsulfanyl)cycloheptan-1-amine
SMILESCOCCCSC1CCCCCC1N
InChIInChI=1S/C11H23NOS/c1-13-8-5-9-14-11-7-4-2-3-6-10(11)12/h10-11H,2-9,12H2,1H3
InChIKeyFDFYWHMRPUIPKL-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropylsulfanyl)cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylsulfanyl)cycloheptan-1-amine?
The IUPAC name of 2-(3-methoxypropylsulfanyl)cycloheptan-1-amine (CID 64625856) is 2-(3-methoxypropylsulfanyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(3-methoxypropylsulfanyl)cycloheptan-1-amine?
The canonical SMILES for 2-(3-methoxypropylsulfanyl)cycloheptan-1-amine is COCCCSC1CCCCCC1N.
What is the InChIKey of 2-(3-methoxypropylsulfanyl)cycloheptan-1-amine?
The InChIKey is FDFYWHMRPUIPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-13-8-5-9-14-11-7-4-2-3-6-10(11)12/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-(3-methoxypropylsulfanyl)cycloheptan-1-amine?
2-(3-methoxypropylsulfanyl)cycloheptan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfanyl)cycloheptan-1-amine is sourced from PubChem (CID 64625856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).