N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine

C12H24N2S — CID 62574718

IUPACN-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
SMILESC1CCC(CNCCN2CCSCC2)C1
InChIInChI=1S/C12H24N2S/c1-2-4-12(3-1)11-13-5-6-14-7-9-15-10-8-14/h12-13H,1-11H2
InChIKeyQPSWQORTQVUWLZ-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.82
Rot. Bonds5

About N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine

N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine (PubChem CID 62574718) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
PubChem CID62574718
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
SMILESC1CCC(CNCCN2CCSCC2)C1
InChIInChI=1S/C12H24N2S/c1-2-4-12(3-1)11-13-5-6-14-7-9-15-10-8-14/h12-13H,1-11H2
InChIKeyQPSWQORTQVUWLZ-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.82
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-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173752
N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173706
N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574882
N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
CID 62557787
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 62561801
N-(cyclopentylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63979713
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63003319
N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 55196456
trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol
CID 106325588

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine (CID 62574718) is N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine is C1CCC(CNCCN2CCSCC2)C1.
What is the InChIKey of N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine?
The InChIKey is QPSWQORTQVUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-2-4-12(3-1)11-13-5-6-14-7-9-15-10-8-14/h12-13H,1-11H2.
What are the key properties of N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine?
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine has a molecular weight of 228.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 62574718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).