2-(3-methoxypropylcarbamothioylamino)acetamide

C7H15N3O2S — CID 115605893

IUPAC2-(3-methoxypropylcarbamothioylamino)acetamide
SMILESCOCCCNC(=S)NCC(N)=O
InChIInChI=1S/C7H15N3O2S/c1-12-4-2-3-9-7(13)10-5-6(8)11/h2-5H2,1H3,(H2,8,11)(H2,9,10,13)
InChIKeyDADSKQOOXBDZGH-UHFFFAOYSA-N
MW205.28 g/mol
LogP-1.03
Rot. Bonds6

About 2-(3-methoxypropylcarbamothioylamino)acetamide

2-(3-methoxypropylcarbamothioylamino)acetamide (PubChem CID 115605893) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(3-methoxypropylcarbamothioylamino)acetamide.

Molecular Properties

Compound Name2-(3-methoxypropylcarbamothioylamino)acetamide
PubChem CID115605893
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-(3-methoxypropylcarbamothioylamino)acetamide
SMILESCOCCCNC(=S)NCC(N)=O
InChIInChI=1S/C7H15N3O2S/c1-12-4-2-3-9-7(13)10-5-6(8)11/h2-5H2,1H3,(H2,8,11)(H2,9,10,13)
InChIKeyDADSKQOOXBDZGH-UHFFFAOYSA-N
XLogP-1.03
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-1.03
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

3-methoxypropylurea
CID 2064040
6-(3-methoxypropylcarbamothioylamino)hexanoic acid
CID 4174298
carbamothioic S-acid;O-methyl N-(3-methoxypropyl)carbamothioate
CID 88720179
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
N'-(3-methoxypropyl)decanediamide
CID 89083408
1-(2,2-difluoroethyl)-3-(3-methoxypropyl)thiourea
CID 115667334
3-(3-methoxypropylcarbamothioylamino)-N,2,2-trimethylpropanamide
CID 103822776
1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115595506
1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea
CID 103723918
1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea
CID 103721496
ethyl 2-(3-ethoxypropylcarbamothioylamino)acetate
CID 116507543

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylcarbamothioylamino)acetamide?
The IUPAC name of 2-(3-methoxypropylcarbamothioylamino)acetamide (CID 115605893) is 2-(3-methoxypropylcarbamothioylamino)acetamide.
What is the SMILES notation for 2-(3-methoxypropylcarbamothioylamino)acetamide?
The canonical SMILES for 2-(3-methoxypropylcarbamothioylamino)acetamide is COCCCNC(=S)NCC(N)=O.
What is the InChIKey of 2-(3-methoxypropylcarbamothioylamino)acetamide?
The InChIKey is DADSKQOOXBDZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-12-4-2-3-9-7(13)10-5-6(8)11/h2-5H2,1H3,(H2,8,11)(H2,9,10,13).
What are the key properties of 2-(3-methoxypropylcarbamothioylamino)acetamide?
2-(3-methoxypropylcarbamothioylamino)acetamide has a molecular weight of 205.28 g/mol, XLogP of -1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylcarbamothioylamino)acetamide is sourced from PubChem (CID 115605893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).