2-(3-aminopropylsulfanyl)cycloheptan-1-ol

C10H21NOS — CID 66220062

IUPAC2-(3-aminopropylsulfanyl)cycloheptan-1-ol
SMILESNCCCSC1CCCCCC1O
InChIInChI=1S/C10H21NOS/c11-7-4-8-13-10-6-3-1-2-5-9(10)12/h9-10,12H,1-8,11H2
InChIKeyIFOGHLUUJBHMFU-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.76
Rot. Bonds4

About 2-(3-aminopropylsulfanyl)cycloheptan-1-ol

2-(3-aminopropylsulfanyl)cycloheptan-1-ol (PubChem CID 66220062) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-(3-aminopropylsulfanyl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(3-aminopropylsulfanyl)cycloheptan-1-ol
PubChem CID66220062
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-(3-aminopropylsulfanyl)cycloheptan-1-ol
SMILESNCCCSC1CCCCCC1O
InChIInChI=1S/C10H21NOS/c11-7-4-8-13-10-6-3-1-2-5-9(10)12/h9-10,12H,1-8,11H2
InChIKeyIFOGHLUUJBHMFU-UHFFFAOYSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
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 2-(3-aminopropylsulfanyl)cycloheptan-1-ol?
The IUPAC name of 2-(3-aminopropylsulfanyl)cycloheptan-1-ol (CID 66220062) is 2-(3-aminopropylsulfanyl)cycloheptan-1-ol.
What is the SMILES notation for 2-(3-aminopropylsulfanyl)cycloheptan-1-ol?
The canonical SMILES for 2-(3-aminopropylsulfanyl)cycloheptan-1-ol is NCCCSC1CCCCCC1O.
What is the InChIKey of 2-(3-aminopropylsulfanyl)cycloheptan-1-ol?
The InChIKey is IFOGHLUUJBHMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c11-7-4-8-13-10-6-3-1-2-5-9(10)12/h9-10,12H,1-8,11H2.
What are the key properties of 2-(3-aminopropylsulfanyl)cycloheptan-1-ol?
2-(3-aminopropylsulfanyl)cycloheptan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfanyl)cycloheptan-1-ol is sourced from PubChem (CID 66220062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).