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

C10H21NOS — CID 64904521

IUPAC3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine
SMILESCOCCCSC1CCC(N)C1C
InChIInChI=1S/C10H21NOS/c1-8-9(11)4-5-10(8)13-7-3-6-12-2/h8-10H,3-7,11H2,1-2H3
InChIKeyWDHATYOJRYJUEI-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.88
Rot. Bonds5

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

3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine (PubChem CID 64904521) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine
PubChem CID64904521
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine
SMILESCOCCCSC1CCC(N)C1C
InChIInChI=1S/C10H21NOS/c1-8-9(11)4-5-10(8)13-7-3-6-12-2/h8-10H,3-7,11H2,1-2H3
InChIKeyWDHATYOJRYJUEI-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine (CID 64904521) is 3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine is COCCCSC1CCC(N)C1C.
What is the InChIKey of 3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine?
The InChIKey is WDHATYOJRYJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8-9(11)4-5-10(8)13-7-3-6-12-2/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine?
3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylsulfanyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64904521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).