N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride

C13H26ClNOS — CID 115598277

IUPACN-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride
SMILESC(CNC1CCSCC1)COC1CCCC1.Cl
InChIInChI=1S/C13H25NOS.ClH/c1-2-5-13(4-1)15-9-3-8-14-12-6-10-16-11-7-12;/h12-14H,1-11H2;1H
InChIKeyPUQZBXZKMGFPJJ-UHFFFAOYSA-N
MW279.88 g/mol
LogP3.24
Rot. Bonds6

About N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride

N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride (PubChem CID 115598277) has the molecular formula C13H26ClNOS and a molecular weight of 279.88 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride
PubChem CID115598277
Molecular FormulaC13H26ClNOS
Molecular Weight279.88 g/mol
Exact Mass279.14
IUPAC NameN-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride
SMILESC(CNC1CCSCC1)COC1CCCC1.Cl
InChIInChI=1S/C13H25NOS.ClH/c1-2-5-13(4-1)15-9-3-8-14-12-6-10-16-11-7-12;/h12-14H,1-11H2;1H
InChIKeyPUQZBXZKMGFPJJ-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.88
LogP ≤ 53.24
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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Related Compounds

N-(3-cyclohexyloxypropyl)thian-4-amine
CID 43394944
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N-(5-methoxypentyl)thian-4-amine
CID 103631860
N-(3-cyclohexyloxypropyl)-1-methylpiperidin-4-amine
CID 28720054
N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
CID 64501250
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-(2-cyclopentyloxyethyl)thian-3-amine
CID 63825120
1-N-(3-cyclohexyloxypropyl)cyclohexane-1,3-diamine
CID 79458447
N-(2-methoxyethyl)thian-4-amine;hydrochloride
CID 86811713
3-cyclopentyloxy-N-methylpropan-1-amine
CID 62444438
N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine
CID 122570256

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride?
The IUPAC name of N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride (CID 115598277) is N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride?
The canonical SMILES for N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride is C(CNC1CCSCC1)COC1CCCC1.Cl.
What is the InChIKey of N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride?
The InChIKey is PUQZBXZKMGFPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS.ClH/c1-2-5-13(4-1)15-9-3-8-14-12-6-10-16-11-7-12;/h12-14H,1-11H2;1H.
What are the key properties of N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride?
N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride has a molecular weight of 279.88 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride is sourced from PubChem (CID 115598277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).