N-(2-but-3-enoxyethyl)thian-4-amine

C11H21NOS — CID 115770559

IUPACN-(2-but-3-enoxyethyl)thian-4-amine
SMILESC=CCCOCCNC1CCSCC1
InChIInChI=1S/C11H21NOS/c1-2-3-7-13-8-6-12-11-4-9-14-10-5-11/h2,11-12H,1,3-10H2
InChIKeyPDFFJFITKZDSOT-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.06
Rot. Bonds7

About N-(2-but-3-enoxyethyl)thian-4-amine

N-(2-but-3-enoxyethyl)thian-4-amine (PubChem CID 115770559) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)thian-4-amine
PubChem CID115770559
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(2-but-3-enoxyethyl)thian-4-amine
SMILESC=CCCOCCNC1CCSCC1
InChIInChI=1S/C11H21NOS/c1-2-3-7-13-8-6-12-11-4-9-14-10-5-11/h2,11-12H,1,3-10H2
InChIKeyPDFFJFITKZDSOT-UHFFFAOYSA-N
XLogP2.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone
CID 103854368
N-(2-propoxyethyl)thiolan-3-amine
CID 106452650
N-(2-but-3-enoxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 106397216
N-(2-methoxyethyl)thian-4-amine;hydrochloride
CID 86811713
N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine
CID 106397284
1-(2-but-3-enoxyethyl)-3-cyclopentylurea
CID 103853130
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
CID 106401449
N-(2-but-3-enoxyethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
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N-(2-but-3-enoxyethyl)-2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114183564

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)thian-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)thian-4-amine (CID 115770559) is N-(2-but-3-enoxyethyl)thian-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)thian-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)thian-4-amine is C=CCCOCCNC1CCSCC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)thian-4-amine?
The InChIKey is PDFFJFITKZDSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-2-3-7-13-8-6-12-11-4-9-14-10-5-11/h2,11-12H,1,3-10H2.
What are the key properties of N-(2-but-3-enoxyethyl)thian-4-amine?
N-(2-but-3-enoxyethyl)thian-4-amine has a molecular weight of 215.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)thian-4-amine is sourced from PubChem (CID 115770559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).