[1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate

C11H20N2OS2 — CID 71905093

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SC(C)C(=O)NC1CC1
InChIInChI=1S/C11H20N2OS2/c1-4-13(5-2)11(15)16-8(3)10(14)12-9-6-7-9/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyDPMLLLGPFFBLQJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.01
Rot. Bonds5

About [1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate

[1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate (PubChem CID 71905093) has the molecular formula C11H20N2OS2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
PubChem CID71905093
Molecular FormulaC11H20N2OS2
Molecular Weight260.43 g/mol
Exact Mass260.10
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SC(C)C(=O)NC1CC1
InChIInChI=1S/C11H20N2OS2/c1-4-13(5-2)11(15)16-8(3)10(14)12-9-6-7-9/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyDPMLLLGPFFBLQJ-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.01
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

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 94871924
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 7841418
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 8818642
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 8818790
2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
CID 116509964
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 42989770
[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
CID 9373280
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
CID 9373279
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] N,N-diethylcarbamodithioate
CID 7841436
2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide
CID 115593532
[1-(cyclopropylamino)-1-oxopropan-2-yl] carbamimidothioate
CID 65212338
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 7841378

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate (CID 71905093) is [1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate is CCN(CC)C(=S)SC(C)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate?
The InChIKey is DPMLLLGPFFBLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS2/c1-4-13(5-2)11(15)16-8(3)10(14)12-9-6-7-9/h8-9H,4-7H2,1-3H3,(H,12,14).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate has a molecular weight of 260.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate is sourced from PubChem (CID 71905093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).