N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide

C12H18N2OS2 — CID 82908664

IUPACN-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)C1CSCCN1
InChIInChI=1S/C12H18N2OS2/c1-9(6-10-2-4-16-7-10)14-12(15)11-8-17-5-3-13-11/h2,4,7,9,11,13H,3,5-6,8H2,1H3,(H,14,15)
InChIKeyWKNCFEINJTWQTJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds4

About N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide

N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide (PubChem CID 82908664) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide
PubChem CID82908664
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)C1CSCCN1
InChIInChI=1S/C12H18N2OS2/c1-9(6-10-2-4-16-7-10)14-12(15)11-8-17-5-3-13-11/h2,4,7,9,11,13H,3,5-6,8H2,1H3,(H,14,15)
InChIKeyWKNCFEINJTWQTJ-UHFFFAOYSA-N
XLogP1.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
N-(1-thiophen-3-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954195
3-(4-hydroxyphenyl)-2-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82897866
N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide
CID 82909094
N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide
CID 82916802
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
2-piperidin-4-yloxy-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 63875026
1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide
CID 51090729
3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61475565
2-piperidin-3-yl-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 62676356
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide (CID 82908664) is N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide is CC(Cc1ccsc1)NC(=O)C1CSCCN1.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide?
The InChIKey is WKNCFEINJTWQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-9(6-10-2-4-16-7-10)14-12(15)11-8-17-5-3-13-11/h2,4,7,9,11,13H,3,5-6,8H2,1H3,(H,14,15).
What are the key properties of N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide?
N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).