N-(acetamidocarbamothioyl)hexanamide

C9H17N3O2S — CID 3138374

IUPACN-(acetamidocarbamothioyl)hexanamide
SMILESCCCCCC(=O)NC(=S)NNC(C)=O
InChIInChI=1S/C9H17N3O2S/c1-3-4-5-6-8(14)10-9(15)12-11-7(2)13/h3-6H2,1-2H3,(H,11,13)(H2,10,12,14,15)
InChIKeyBALJEEGIXIBENZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.61
Rot. Bonds4

About N-(acetamidocarbamothioyl)hexanamide

N-(acetamidocarbamothioyl)hexanamide (PubChem CID 3138374) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(acetamidocarbamothioyl)hexanamide.

Molecular Properties

Compound NameN-(acetamidocarbamothioyl)hexanamide
PubChem CID3138374
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(acetamidocarbamothioyl)hexanamide
SMILESCCCCCC(=O)NC(=S)NNC(C)=O
InChIInChI=1S/C9H17N3O2S/c1-3-4-5-6-8(14)10-9(15)12-11-7(2)13/h3-6H2,1-2H3,(H,11,13)(H2,10,12,14,15)
InChIKeyBALJEEGIXIBENZ-UHFFFAOYSA-N
XLogP0.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(N'-Pentanoyl-hydrazinocarbothioyl)-butyramide
CID 3138330
Pentanoic acid (N'-propionyl-hydrazinocarbothioyl)-amide
CID 3138370
N-[(2-hexanoylhydrazino)carbothioyl]acetamide
CID 3138364
N-{[(2-cyanoacetylamino)amino]thioxomethyl}pentanamide
CID 3138373
Hexanoic acid (N'-propionyl-hydrazinocarbothioyl)-amide
CID 3138375
N-[(Pentanamidomethanethioyl)amino]acetamide
CID 3138369
2-heptanoyl-N-methylhydrazinecarbothioamide
CID 4695036
N-[(2-hexanoylhydrazino)carbothioyl]propanamide
CID 3138322
1-Ethyl-3-[[6-[2-(ethylcarbamothioyl)hydrazinyl]-6-oxohexanoyl]amino]thiourea
CID 3402628
N-ethyl-2-heptanoylhydrazinecarbothioamide
CID 3569164
N-[(cyclohexanecarbonylamino)carbamothioyl]-3-methylbutanamide
CID 4923133
N-[(cyclohexanecarbonylamino)carbamothioyl]-2-methylpropanamide
CID 4924000

Frequently Asked Questions

What is the IUPAC name of N-(acetamidocarbamothioyl)hexanamide?
The IUPAC name of N-(acetamidocarbamothioyl)hexanamide (CID 3138374) is N-(acetamidocarbamothioyl)hexanamide.
What is the SMILES notation for N-(acetamidocarbamothioyl)hexanamide?
The canonical SMILES for N-(acetamidocarbamothioyl)hexanamide is CCCCCC(=O)NC(=S)NNC(C)=O.
What is the InChIKey of N-(acetamidocarbamothioyl)hexanamide?
The InChIKey is BALJEEGIXIBENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-4-5-6-8(14)10-9(15)12-11-7(2)13/h3-6H2,1-2H3,(H,11,13)(H2,10,12,14,15).
What are the key properties of N-(acetamidocarbamothioyl)hexanamide?
N-(acetamidocarbamothioyl)hexanamide has a molecular weight of 231.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetamidocarbamothioyl)hexanamide is sourced from PubChem (CID 3138374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).