N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide

C12H24N2OS — CID 82916572

IUPACN-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1CSCCN1
InChIInChI=1S/C12H24N2OS/c1-4-10(5-2)9(3)14-12(15)11-8-16-7-6-13-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyVQJBHPUTEYPWSZ-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.63
Rot. Bonds5

About N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide

N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide (PubChem CID 82916572) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
PubChem CID82916572
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1CSCCN1
InChIInChI=1S/C12H24N2OS/c1-4-10(5-2)9(3)14-12(15)11-8-16-7-6-13-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyVQJBHPUTEYPWSZ-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
N-pent-1-yn-3-ylthiomorpholine-3-carboxamide
CID 106230343
N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
CID 82917888
N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide
CID 82909094
N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
CID 82918098
N-(3-ethylpentan-2-yl)-5-methylpiperazine-2-carboxamide
CID 63837288
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63842489
N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
CID 106161015
N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide
CID 82905786

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide (CID 82916572) is N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide is CCC(CC)C(C)NC(=O)C1CSCCN1.
What is the InChIKey of N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide?
The InChIKey is VQJBHPUTEYPWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-10(5-2)9(3)14-12(15)11-8-16-7-6-13-11/h9-11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide?
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82916572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).