1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide

C14H27N3OS — CID 102993363

IUPAC1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C14H27N3OS/c1-4-16(5-2)10-7-11-17(6-3)13(18)14(8-9-14)12(15)19/h4-11H2,1-3H3,(H2,15,19)
InChIKeyUQZDSSKFMVTOCJ-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.63
Rot. Bonds9

About 1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide

1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide (PubChem CID 102993363) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide
PubChem CID102993363
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C14H27N3OS/c1-4-16(5-2)10-7-11-17(6-3)13(18)14(8-9-14)12(15)19/h4-11H2,1-3H3,(H2,15,19)
InChIKeyUQZDSSKFMVTOCJ-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80589059
1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80589363
1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80590006
1-carbamothioyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80590188
1-carbamothioyl-N-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
CID 80591060
2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 113270589
2-carbamothioyl-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 113270591
2-carbamothioyl-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 113270592
2-carbamothioyl-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 114292380
2-carbamothioyl-N-(2,2-difluoroethyl)-N,2-dimethylbutanamide
CID 116315020
1-carbamothioyl-N-(2,2-difluoroethyl)-N-methylcyclopropane-1-carboxamide
CID 116315035
1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 69284805

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide (CID 102993363) is 1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide is CCN(CC)CCCN(CC)C(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide?
The InChIKey is UQZDSSKFMVTOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-4-16(5-2)10-7-11-17(6-3)13(18)14(8-9-14)12(15)19/h4-11H2,1-3H3,(H2,15,19).
What are the key properties of 1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide?
1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide has a molecular weight of 285.46 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 102993363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).