N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide

C10H19N3OS — CID 115583406

IUPACN-cyclopropyl-4-(ethylcarbamothioylamino)butanamide
SMILESCCNC(=S)NCCCC(=O)NC1CC1
InChIInChI=1S/C10H19N3OS/c1-2-11-10(15)12-7-3-4-9(14)13-8-5-6-8/h8H,2-7H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyCZZTUDAYYGSATL-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.53
Rot. Bonds6

About N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide

N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide (PubChem CID 115583406) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(ethylcarbamothioylamino)butanamide
PubChem CID115583406
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-cyclopropyl-4-(ethylcarbamothioylamino)butanamide
SMILESCCNC(=S)NCCCC(=O)NC1CC1
InChIInChI=1S/C10H19N3OS/c1-2-11-10(15)12-7-3-4-9(14)13-8-5-6-8/h8H,2-7H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyCZZTUDAYYGSATL-UHFFFAOYSA-N
XLogP0.53
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401012
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
N-(1,1-dioxothiolan-3-yl)-3-(ethylcarbamothioylamino)propanamide
CID 43076178
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147
N,N'-dicyclopropyldecanediamide
CID 4668836
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302
N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
CID 79400697

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide (CID 115583406) is N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide is CCNC(=S)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide?
The InChIKey is CZZTUDAYYGSATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-2-11-10(15)12-7-3-4-9(14)13-8-5-6-8/h8H,2-7H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide?
N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide has a molecular weight of 229.35 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide is sourced from PubChem (CID 115583406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).