N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide

C14H27N3OS — CID 66420098

IUPACN-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCCN1CCC(NC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H27N3OS/c1-2-6-17-7-3-12(4-8-17)16-14(18)10-13-11-19-9-5-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyKZWOPWLQTGTSEC-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.07
Rot. Bonds5

About N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide

N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420098) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420098
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCCN1CCC(NC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H27N3OS/c1-2-6-17-7-3-12(4-8-17)16-14(18)10-13-11-19-9-5-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyKZWOPWLQTGTSEC-UHFFFAOYSA-N
XLogP1.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941513
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119942509
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119936782
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119940142
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119935763
2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
CID 66422654
N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66420914
N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66422198

Frequently Asked Questions

What is the IUPAC name of N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide (CID 66420098) is N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide is CCCN1CCC(NC(=O)CC2CSCCN2)CC1.
What is the InChIKey of N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is KZWOPWLQTGTSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-2-6-17-7-3-12(4-8-17)16-14(18)10-13-11-19-9-5-15-13/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 285.46 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).