1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide

C11H21N3OS — CID 80592590

IUPAC1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
SMILESCCN(CC)CCNC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C11H21N3OS/c1-3-14(4-2)8-7-13-10(15)11(5-6-11)9(12)16/h3-8H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyYSMRVSHRUOHDEO-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.51
Rot. Bonds7

About 1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide

1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide (PubChem CID 80592590) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
PubChem CID80592590
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
SMILESCCN(CC)CCNC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C11H21N3OS/c1-3-14(4-2)8-7-13-10(15)11(5-6-11)9(12)16/h3-8H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyYSMRVSHRUOHDEO-UHFFFAOYSA-N
XLogP0.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.51
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

1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271
1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
CID 80592483
1-[2-(diethylamino)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095043
1-amino-N-[2-(diethylamino)ethyl]cyclopentane-1-carboxamide
CID 60867384
1-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclobutane-1-carboxamide
CID 80589183
1-(aminomethyl)-N-[2-(diethylamino)ethyl]cyclopentane-1-carboxamide
CID 55037810
1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide
CID 82940735
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 80593420
1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide
CID 102993363
1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761691
1-carbamothioyl-N-[5-(diethylamino)pentan-2-yl]cyclobutane-1-carboxamide
CID 80592085
1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80589712

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide (CID 80592590) is 1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide is CCN(CC)CCNC(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is YSMRVSHRUOHDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-3-14(4-2)8-7-13-10(15)11(5-6-11)9(12)16/h3-8H2,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of 1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide?
1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 243.38 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80592590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).