N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine

C11H22N2OS — CID 62574882

IUPACN-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine
SMILESC(CN1CCSCC1)NCC1CCOC1
InChIInChI=1S/C11H22N2OS/c1-6-14-10-11(1)9-12-2-3-13-4-7-15-8-5-13/h11-12H,1-10H2
InChIKeyZOLRVPFWWWSHPR-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.66
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine

N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine (PubChem CID 62574882) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine
PubChem CID62574882
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine
SMILESC(CN1CCSCC1)NCC1CCOC1
InChIInChI=1S/C11H22N2OS/c1-6-14-10-11(1)9-12-2-3-13-4-7-15-8-5-13/h11-12H,1-10H2
InChIKeyZOLRVPFWWWSHPR-UHFFFAOYSA-N
XLogP0.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718
2-(4,4-diethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55159679
N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173752
N-(2-thiomorpholin-4-ylethyl)oxolan-3-amine
CID 115689210
2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55090292
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173706
2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62558124
N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine
CID 81469540
2-(2,4-dimethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62560487
2-(3-ethylmorpholin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62559706
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine (CID 62574882) is N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine is C(CN1CCSCC1)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine?
The InChIKey is ZOLRVPFWWWSHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-6-14-10-11(1)9-12-2-3-13-4-7-15-8-5-13/h11-12H,1-10H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine?
N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine has a molecular weight of 230.38 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 62574882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).