N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide

C12H22N2OS — CID 62956227

IUPACN-(2-carbamothioylcyclopentyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C12H22N2OS/c1-3-8(4-2)12(15)14-10-7-5-6-9(10)11(13)16/h8-10H,3-7H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyBWYGHMVNIHWOHI-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.99
Rot. Bonds5

About N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide

N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide (PubChem CID 62956227) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-2-ethylbutanamide
PubChem CID62956227
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-carbamothioylcyclopentyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C12H22N2OS/c1-3-8(4-2)12(15)14-10-7-5-6-9(10)11(13)16/h8-10H,3-7H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyBWYGHMVNIHWOHI-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.99
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-(2-carbamothioylcyclopentyl)-2-ethylhexanamide
CID 62955192
N-(2-carbamothioylcyclopentyl)-2-methylpentanamide
CID 62956390
N-(2-carbamothioylcyclopentyl)-2-ethoxyacetamide
CID 62956567
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
CID 76978522
2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid
CID 64814795
N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide
CID 62955874
N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide
CID 62955525
N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
CID 62957100
N-(2-hydroxycyclopentyl)-2-(hydroxymethyl)butanamide
CID 70915127
N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide
CID 113382161
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508
N-cyclopropyl-2-ethylbutanamide
CID 5151098

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide (CID 62956227) is N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide is CCC(CC)C(=O)NC1CCCC1C(N)=S.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide?
The InChIKey is BWYGHMVNIHWOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-8(4-2)12(15)14-10-7-5-6-9(10)11(13)16/h8-10H,3-7H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide?
N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide has a molecular weight of 242.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide is sourced from PubChem (CID 62956227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).