N-(2-methoxyethyl)thian-4-amine;hydrochloride

C8H18ClNOS — CID 86811713

IUPACN-(2-methoxyethyl)thian-4-amine;hydrochloride
SMILESCOCCNC1CCSCC1.Cl
InChIInChI=1S/C8H17NOS.ClH/c1-10-5-4-9-8-2-6-11-7-3-8;/h8-9H,2-7H2,1H3;1H
InChIKeyFYUHGMXJDNWYOK-UHFFFAOYSA-N
MW211.76 g/mol
LogP1.54
Rot. Bonds4

About N-(2-methoxyethyl)thian-4-amine;hydrochloride

N-(2-methoxyethyl)thian-4-amine;hydrochloride (PubChem CID 86811713) has the molecular formula C8H18ClNOS and a molecular weight of 211.76 g/mol. Its IUPAC name is N-(2-methoxyethyl)thian-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)thian-4-amine;hydrochloride
PubChem CID86811713
Molecular FormulaC8H18ClNOS
Molecular Weight211.76 g/mol
Exact Mass211.08
IUPAC NameN-(2-methoxyethyl)thian-4-amine;hydrochloride
SMILESCOCCNC1CCSCC1.Cl
InChIInChI=1S/C8H17NOS.ClH/c1-10-5-4-9-8-2-6-11-7-3-8;/h8-9H,2-7H2,1H3;1H
InChIKeyFYUHGMXJDNWYOK-UHFFFAOYSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.76
LogP ≤ 51.54
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-(5-methoxypentyl)thian-4-amine
CID 103631860
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride
CID 115598277
N-(2-but-3-enoxyethyl)thian-4-amine
CID 115770559
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
1-(cyclopropylmethyl)-N-(2-methoxyethyl)piperidin-4-amine
CID 115705566
N-(3-cyclohexyloxypropyl)thian-4-amine
CID 43394944
N-(2-propoxyethyl)thiolan-3-amine
CID 106452650
N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)thian-4-amine;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)thian-4-amine;hydrochloride (CID 86811713) is N-(2-methoxyethyl)thian-4-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)thian-4-amine;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)thian-4-amine;hydrochloride is COCCNC1CCSCC1.Cl.
What is the InChIKey of N-(2-methoxyethyl)thian-4-amine;hydrochloride?
The InChIKey is FYUHGMXJDNWYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS.ClH/c1-10-5-4-9-8-2-6-11-7-3-8;/h8-9H,2-7H2,1H3;1H.
What are the key properties of N-(2-methoxyethyl)thian-4-amine;hydrochloride?
N-(2-methoxyethyl)thian-4-amine;hydrochloride has a molecular weight of 211.76 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)thian-4-amine;hydrochloride is sourced from PubChem (CID 86811713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).