N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide

C10H20N2O2S — CID 61121561

IUPACN-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(CC)(CC)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-4-10(5-2,9(11)15)12-8(13)7-14-6-3/h4-7H2,1-3H3,(H2,11,15)(H,12,13)
InChIKeyXKROUQLHSCQTNQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.98
Rot. Bonds7

About N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide

N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide (PubChem CID 61121561) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide
PubChem CID61121561
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(CC)(CC)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-4-10(5-2,9(11)15)12-8(13)7-14-6-3/h4-7H2,1-3H3,(H2,11,15)(H,12,13)
InChIKeyXKROUQLHSCQTNQ-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid
CID 79806522
N-(3-carbamothioylpentan-3-yl)-2-(4-chlorophenoxy)acetamide
CID 61120992
3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
CID 104579494
2-[(2-ethoxyacetyl)amino]oxyacetamide
CID 112550612
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-ethoxyacetamide
CID 107867504
tert-butyl N-(3-carbamothioylpentan-3-yl)carbamate
CID 61338393
N-(3-carbamothioylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 63834681
3-(3-carbamothioylpentan-3-yl)-1,1-diethylurea
CID 79161961
N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
CID 114457879
N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide
CID 114308041
2-ethoxyacetohydrazide;hydrochloride
CID 16641296
3-ethoxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]propanamide
CID 55091838

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide?
The IUPAC name of N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide (CID 61121561) is N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide.
What is the SMILES notation for N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide?
The canonical SMILES for N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide is CCOCC(=O)NC(CC)(CC)C(N)=S.
What is the InChIKey of N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide?
The InChIKey is XKROUQLHSCQTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-4-10(5-2,9(11)15)12-8(13)7-14-6-3/h4-7H2,1-3H3,(H2,11,15)(H,12,13).
What are the key properties of N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide?
N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide has a molecular weight of 232.35 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide is sourced from PubChem (CID 61121561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).