N-(2-cyclopentyloxyethyl)thian-3-amine

C12H23NOS — CID 63825120

IUPACN-(2-cyclopentyloxyethyl)thian-3-amine
SMILESC1CSCC(NCCOC2CCCC2)C1
InChIInChI=1S/C12H23NOS/c1-2-6-12(5-1)14-8-7-13-11-4-3-9-15-10-11/h11-13H,1-10H2
InChIKeyBIWGLFGTQZGZRR-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.43
Rot. Bonds5

About N-(2-cyclopentyloxyethyl)thian-3-amine

N-(2-cyclopentyloxyethyl)thian-3-amine (PubChem CID 63825120) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)thian-3-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)thian-3-amine
PubChem CID63825120
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-(2-cyclopentyloxyethyl)thian-3-amine
SMILESC1CSCC(NCCOC2CCCC2)C1
InChIInChI=1S/C12H23NOS/c1-2-6-12(5-1)14-8-7-13-11-4-3-9-15-10-11/h11-13H,1-10H2
InChIKeyBIWGLFGTQZGZRR-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.43
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-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-[3-(1-methylpiperidin-4-yl)oxypropyl]thian-3-amine
CID 122570256
2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol
CID 94885835
(3S)-N-(3-methylbutyl)thian-3-amine
CID 94885631
N-(2-cyclopentyloxyethyl)oxan-4-amine
CID 63099341
N-(3-cyclohexyloxypropyl)thian-4-amine
CID 43394944
N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride
CID 115598277
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471
N-(4-methylpentyl)thian-3-amine
CID 62871286
N-(2-cyclopentyloxyethyl)-3-cyclopropylcyclohexan-1-amine
CID 64624006

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)thian-3-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)thian-3-amine (CID 63825120) is N-(2-cyclopentyloxyethyl)thian-3-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)thian-3-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)thian-3-amine is C1CSCC(NCCOC2CCCC2)C1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)thian-3-amine?
The InChIKey is BIWGLFGTQZGZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-2-6-12(5-1)14-8-7-13-11-4-3-9-15-10-11/h11-13H,1-10H2.
What are the key properties of N-(2-cyclopentyloxyethyl)thian-3-amine?
N-(2-cyclopentyloxyethyl)thian-3-amine has a molecular weight of 229.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)thian-3-amine is sourced from PubChem (CID 63825120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).