N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine

C13H27N3S — CID 114173752

IUPACN-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESCN1CCC(CNCCN2CCSCC2)CC1
InChIInChI=1S/C13H27N3S/c1-15-5-2-13(3-6-15)12-14-4-7-16-8-10-17-11-9-16/h13-14H,2-12H2,1H3
InChIKeyCSIRUOXOSPYIMZ-UHFFFAOYSA-N
MW257.45 g/mol
LogP0.97
Rot. Bonds5

About N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine

N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine (PubChem CID 114173752) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
PubChem CID114173752
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESCN1CCC(CNCCN2CCSCC2)CC1
InChIInChI=1S/C13H27N3S/c1-15-5-2-13(3-6-15)12-14-4-7-16-8-10-17-11-9-16/h13-14H,2-12H2,1H3
InChIKeyCSIRUOXOSPYIMZ-UHFFFAOYSA-N
XLogP0.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 50.97
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
N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173706
N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574882
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168
2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132495
N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230561
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
N-(cyclopentylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63979713
3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62655051
N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325242

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine (CID 114173752) is N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine is CN1CCC(CNCCN2CCSCC2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The InChIKey is CSIRUOXOSPYIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-15-5-2-13(3-6-15)12-14-4-7-16-8-10-17-11-9-16/h13-14H,2-12H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine?
N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine has a molecular weight of 257.45 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 114173752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).