(3-cyclohexylpropanoylamino)thiourea

C10H19N3OS — CID 65214782

IUPAC(3-cyclohexylpropanoylamino)thiourea
SMILESNC(=S)NNC(=O)CCC1CCCCC1
InChIInChI=1S/C10H19N3OS/c11-10(15)13-12-9(14)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,14)(H3,11,13,15)
InChIKeyXXERCZDDABESML-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.21
Rot. Bonds3

About (3-cyclohexylpropanoylamino)thiourea

(3-cyclohexylpropanoylamino)thiourea (PubChem CID 65214782) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is (3-cyclohexylpropanoylamino)thiourea.

Molecular Properties

Compound Name(3-cyclohexylpropanoylamino)thiourea
PubChem CID65214782
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name(3-cyclohexylpropanoylamino)thiourea
SMILESNC(=S)NNC(=O)CCC1CCCCC1
InChIInChI=1S/C10H19N3OS/c11-10(15)13-12-9(14)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,14)(H3,11,13,15)
InChIKeyXXERCZDDABESML-UHFFFAOYSA-N
XLogP1.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.21
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

methyl N-(3-cyclohexylpropanoylamino)carbamodithioate
CID 57393620
1-tert-butyl-3-(3-cyclopentylpropanoylamino)thiourea
CID 9425467
2-(3-cyclohexylpropanoylamino)propanediamide
CID 47149965
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide
CID 62955195
(cyclohexylmethylamino)thiourea
CID 90036108
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206
3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide
CID 4934359
1-(3-cyclohexylpropanoylamino)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 40632908
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
CID 61121156
4-cyclohexyl-2-oxobutanamide
CID 69253318
(1S,2R,3R,4S)-3-[(3-cyclohexylpropanoylamino)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124713566

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylpropanoylamino)thiourea?
The IUPAC name of (3-cyclohexylpropanoylamino)thiourea (CID 65214782) is (3-cyclohexylpropanoylamino)thiourea.
What is the SMILES notation for (3-cyclohexylpropanoylamino)thiourea?
The canonical SMILES for (3-cyclohexylpropanoylamino)thiourea is NC(=S)NNC(=O)CCC1CCCCC1.
What is the InChIKey of (3-cyclohexylpropanoylamino)thiourea?
The InChIKey is XXERCZDDABESML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c11-10(15)13-12-9(14)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,14)(H3,11,13,15).
What are the key properties of (3-cyclohexylpropanoylamino)thiourea?
(3-cyclohexylpropanoylamino)thiourea has a molecular weight of 229.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylpropanoylamino)thiourea is sourced from PubChem (CID 65214782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).