2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide

C11H23N3OS — CID 62641517

IUPAC2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide
SMILESCCCC(C(=O)NCCN(C)CC)C(N)=S
InChIInChI=1S/C11H23N3OS/c1-4-6-9(10(12)16)11(15)13-7-8-14(3)5-2/h9H,4-8H2,1-3H3,(H2,12,16)(H,13,15)
InChIKeyIUQRDNWVJWBCDT-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.76
Rot. Bonds8

About 2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide

2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide (PubChem CID 62641517) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide
PubChem CID62641517
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide
SMILESCCCC(C(=O)NCCN(C)CC)C(N)=S
InChIInChI=1S/C11H23N3OS/c1-4-6-9(10(12)16)11(15)13-7-8-14(3)5-2/h9H,4-8H2,1-3H3,(H2,12,16)(H,13,15)
InChIKeyIUQRDNWVJWBCDT-UHFFFAOYSA-N
XLogP0.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.76
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

3-amino-2-benzyl-N-[2-[ethyl(methyl)amino]ethyl]-3-sulfanylidenepropanamide
CID 62641519
2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide
CID 104761692
2-carbamothioyl-N-(3-methylsulfinylbutyl)pentanamide
CID 113490493
2-carbamothioyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide
CID 106428805
2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide
CID 114175472
2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide
CID 62641335
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 62642428
3-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 62838043
2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide
CID 55259925
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylpentanamide
CID 62639879
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 107566847

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide?
The IUPAC name of 2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide (CID 62641517) is 2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide?
The canonical SMILES for 2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide is CCCC(C(=O)NCCN(C)CC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide?
The InChIKey is IUQRDNWVJWBCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-4-6-9(10(12)16)11(15)13-7-8-14(3)5-2/h9H,4-8H2,1-3H3,(H2,12,16)(H,13,15).
What are the key properties of 2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide?
2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide has a molecular weight of 245.39 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide is sourced from PubChem (CID 62641517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).