N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide

C11H21N3O2S — CID 113218411

IUPACN-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
SMILESCOCCCNC(=S)NCCNC(=O)C1CC1
InChIInChI=1S/C11H21N3O2S/c1-16-8-2-5-13-11(17)14-7-6-12-10(15)9-3-4-9/h9H,2-8H2,1H3,(H,12,15)(H2,13,14,17)
InChIKeyQYKAGCSEIQVTRW-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.01
Rot. Bonds8

About N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide

N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide (PubChem CID 113218411) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
PubChem CID113218411
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
SMILESCOCCCNC(=S)NCCNC(=O)C1CC1
InChIInChI=1S/C11H21N3O2S/c1-16-8-2-5-13-11(17)14-7-6-12-10(15)9-3-4-9/h9H,2-8H2,1H3,(H,12,15)(H2,13,14,17)
InChIKeyQYKAGCSEIQVTRW-UHFFFAOYSA-N
XLogP0.01
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146641
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120
N-[2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111406361
1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
N-(3-methoxypropyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513055
3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114129707
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
2-(3-methoxypropylcarbamothioylamino)acetamide
CID 115605893
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110913777
1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
CID 17373263

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide (CID 113218411) is N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide is COCCCNC(=S)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is QYKAGCSEIQVTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-16-8-2-5-13-11(17)14-7-6-12-10(15)9-3-4-9/h9H,2-8H2,1H3,(H,12,15)(H2,13,14,17).
What are the key properties of N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide?
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 259.37 g/mol, XLogP of 0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113218411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).