N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide

C13H24N2OS — CID 114125067

IUPACN-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide
SMILESCCC1(CNC(=O)C2CSCCN2)CCCC1
InChIInChI=1S/C13H24N2OS/c1-2-13(5-3-4-6-13)10-15-12(16)11-9-17-8-7-14-11/h11,14H,2-10H2,1H3,(H,15,16)
InChIKeyFFMWMAAQDAJYLD-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.78
Rot. Bonds4

About N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide

N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide (PubChem CID 114125067) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide
PubChem CID114125067
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide
SMILESCCC1(CNC(=O)C2CSCCN2)CCCC1
InChIInChI=1S/C13H24N2OS/c1-2-13(5-3-4-6-13)10-15-12(16)11-9-17-8-7-14-11/h11,14H,2-10H2,1H3,(H,15,16)
InChIKeyFFMWMAAQDAJYLD-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide
CID 113359665
(2S)-N-[(1-ethylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 103797869
1-[(thiomorpholine-3-carbonylamino)methyl]cycloheptane-1-carboxylic acid
CID 82918104
N-[1-(hydroxymethyl)cyclopentyl]thiomorpholine-3-carboxamide
CID 82908673
4-[(thiomorpholine-3-carbonylamino)methyl]oxane-4-carboxylic acid
CID 82917777
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940566
2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid
CID 82917741
N-[(1-ethylcyclopentyl)methyl]-6-methylpiperidine-2-carboxamide
CID 114125672
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide (CID 114125067) is N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide is CCC1(CNC(=O)C2CSCCN2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide?
The InChIKey is FFMWMAAQDAJYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-2-13(5-3-4-6-13)10-15-12(16)11-9-17-8-7-14-11/h11,14H,2-10H2,1H3,(H,15,16).
What are the key properties of N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide?
N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 114125067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).