2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide

C14H26N2OS — CID 114125492

IUPAC2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide
SMILESCCC1(CNC(=O)C(C)(CC)C(N)=S)CCCC1
InChIInChI=1S/C14H26N2OS/c1-4-13(3,11(15)18)12(17)16-10-14(5-2)8-6-7-9-14/h4-10H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyUTEPYUBDJPUVTQ-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.78
Rot. Bonds6

About 2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide

2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide (PubChem CID 114125492) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide
PubChem CID114125492
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide
SMILESCCC1(CNC(=O)C(C)(CC)C(N)=S)CCCC1
InChIInChI=1S/C14H26N2OS/c1-4-13(3,11(15)18)12(17)16-10-14(5-2)8-6-7-9-14/h4-10H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyUTEPYUBDJPUVTQ-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811
N-[(1-ethylcyclopentyl)methyl]-2,2,2-trifluoroacetamide
CID 103766554
2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
CID 113270525
2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide
CID 103840339
2-carbamothioyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113270513
2-carbamothioyl-N-decyl-2-methylbutanamide
CID 114292426
2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291927
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
2-carbamothioyl-2-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 114291851
2-carbamothioyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 113270597
2-carbamothioyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbutanamide
CID 113270438
2-[(1-ethylcyclopentyl)methylamino]-2-oxoacetic acid
CID 104768310

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide (CID 114125492) is 2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide is CCC1(CNC(=O)C(C)(CC)C(N)=S)CCCC1.
What is the InChIKey of 2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide?
The InChIKey is UTEPYUBDJPUVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-13(3,11(15)18)12(17)16-10-14(5-2)8-6-7-9-14/h4-10H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide?
2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide has a molecular weight of 270.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 114125492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).