N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide

C12H23N3OS — CID 82908667

IUPACN-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide
SMILESCN1CCC(CNC(=O)C2CSCCN2)CC1
InChIInChI=1S/C12H23N3OS/c1-15-5-2-10(3-6-15)8-14-12(16)11-9-17-7-4-13-11/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyABWIEUAVTDUEAA-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.15
Rot. Bonds3

About N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide

N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide (PubChem CID 82908667) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide
PubChem CID82908667
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide
SMILESCN1CCC(CNC(=O)C2CSCCN2)CC1
InChIInChI=1S/C12H23N3OS/c1-15-5-2-10(3-6-15)8-14-12(16)11-9-17-7-4-13-11/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyABWIEUAVTDUEAA-UHFFFAOYSA-N
XLogP0.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82917561
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 114428843
N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide
CID 106135048
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
CID 82917563
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
(2R)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796004
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796007
(2S)-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107296038
N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide
CID 82917775

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide (CID 82908667) is N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide is CN1CCC(CNC(=O)C2CSCCN2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide?
The InChIKey is ABWIEUAVTDUEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-15-5-2-10(3-6-15)8-14-12(16)11-9-17-7-4-13-11/h10-11,13H,2-9H2,1H3,(H,14,16).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide?
N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide has a molecular weight of 257.40 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).