1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea

C13H27N3OSSn — CID 88790723

IUPAC1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea
SMILESCCC(=O)NNC(=S)NC1CCCC([Sn](C)(C)C)C1
InChIInChI=1S/C10H18N3OS.3CH3.Sn/c1-2-9(14)12-13-10(15)11-8-6-4-3-5-7-8;;;;/h4,8H,2-3,5-7H2,1H3,(H,12,14)(H2,11,13,15);3*1H3;
InChIKeyWSOGQBGWFBGJCA-UHFFFAOYSA-N
MW392.16 g/mol
LogP2.54
Rot. Bonds3

About 1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea

1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea (PubChem CID 88790723) has the molecular formula C13H27N3OSSn and a molecular weight of 392.16 g/mol. Its IUPAC name is 1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea.

Molecular Properties

Compound Name1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea
PubChem CID88790723
Molecular FormulaC13H27N3OSSn
Molecular Weight392.16 g/mol
Exact Mass393.09
IUPAC Name1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea
SMILESCCC(=O)NNC(=S)NC1CCCC([Sn](C)(C)C)C1
InChIInChI=1S/C10H18N3OS.3CH3.Sn/c1-2-9(14)12-13-10(15)11-8-6-4-3-5-7-8;;;;/h4,8H,2-3,5-7H2,1H3,(H,12,14)(H2,11,13,15);3*1H3;
InChIKeyWSOGQBGWFBGJCA-UHFFFAOYSA-N
XLogP2.54
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.16
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(propanoylamino)thiourea
CID 17372527
1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate
CID 70601054
ethyl N-(cyclohexylcarbamothioylamino)carbamate
CID 2743224
1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea
CID 24644179
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
1-(cyclobutanecarbonylamino)-3-cyclopropylthiourea
CID 30002190
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
CID 8789272
1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea
CID 8622189
1-cyclohexyl-3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]thiourea
CID 4684324
3-[[2-(butan-2-ylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043134

Frequently Asked Questions

What is the IUPAC name of 1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea?
The IUPAC name of 1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea (CID 88790723) is 1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea.
What is the SMILES notation for 1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea?
The canonical SMILES for 1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea is CCC(=O)NNC(=S)NC1CCCC([Sn](C)(C)C)C1.
What is the InChIKey of 1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea?
The InChIKey is WSOGQBGWFBGJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3OS.3CH3.Sn/c1-2-9(14)12-13-10(15)11-8-6-4-3-5-7-8;;;;/h4,8H,2-3,5-7H2,1H3,(H,12,14)(H2,11,13,15);3*1H3;.
What are the key properties of 1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea?
1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea has a molecular weight of 392.16 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea is sourced from PubChem (CID 88790723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).