N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide

C10H21N3OS — CID 115598342

IUPACN-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide
SMILESCCCNC(=S)NCC(=O)NCC(C)C
InChIInChI=1S/C10H21N3OS/c1-4-5-11-10(15)13-7-9(14)12-6-8(2)3/h8H,4-7H2,1-3H3,(H,12,14)(H2,11,13,15)
InChIKeyPLOBHJBLQWXYFE-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.63
Rot. Bonds6

About N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide

N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide (PubChem CID 115598342) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide
PubChem CID115598342
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC NameN-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide
SMILESCCCNC(=S)NCC(=O)NCC(C)C
InChIInChI=1S/C10H21N3OS/c1-4-5-11-10(15)13-7-9(14)12-6-8(2)3/h8H,4-7H2,1-3H3,(H,12,14)(H2,11,13,15)
InChIKeyPLOBHJBLQWXYFE-UHFFFAOYSA-N
XLogP0.63
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide
CID 115571220
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
1-[(2S)-2-hydroxypropyl]-3-propylthiourea
CID 131211878
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824
N-methyl-3-(propylcarbamothioylamino)propanamide
CID 116508065
3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 62729229
2-[[hydrazinyl(propylamino)methylidene]amino]-N-(2-methylpropyl)acetamide
CID 104888447
2-(butylcarbamothioylamino)-N-(2-methylpropyl)propanamide
CID 116509936
2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
CID 106931868
2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 43567045
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide (CID 115598342) is N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide is CCCNC(=S)NCC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide?
The InChIKey is PLOBHJBLQWXYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-4-5-11-10(15)13-7-9(14)12-6-8(2)3/h8H,4-7H2,1-3H3,(H,12,14)(H2,11,13,15).
What are the key properties of N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide?
N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide has a molecular weight of 231.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide is sourced from PubChem (CID 115598342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).