1-[(2-methylcyclopropyl)methyl]-3-propylthiourea

C9H18N2S — CID 115583247

IUPAC1-[(2-methylcyclopropyl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCC1CC1C
InChIInChI=1S/C9H18N2S/c1-3-4-10-9(12)11-6-8-5-7(8)2/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyGMDXBKQWDAGXOX-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.52
Rot. Bonds4

About 1-[(2-methylcyclopropyl)methyl]-3-propylthiourea

1-[(2-methylcyclopropyl)methyl]-3-propylthiourea (PubChem CID 115583247) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)methyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[(2-methylcyclopropyl)methyl]-3-propylthiourea
PubChem CID115583247
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-[(2-methylcyclopropyl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCC1CC1C
InChIInChI=1S/C9H18N2S/c1-3-4-10-9(12)11-6-8-5-7(8)2/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyGMDXBKQWDAGXOX-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-propylthiourea
CID 124868104
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
1-[(4-ethylcyclohexyl)methyl]-3-propylthiourea
CID 115594237
1-[(1-methylpiperidin-4-yl)methyl]-3-propylthiourea
CID 115602001
1-(2-hydroxyethyl)-3-propylthiourea
CID 2824653
1-(oxan-2-ylmethyl)-3-propylthiourea
CID 115593169
1-(3-cyclopropylpropyl)-3-propylthiourea
CID 115635620
(2-methylcyclopropyl)methylurea
CID 115582645
1-[(1-methylcyclopentyl)methyl]-3-propylthiourea
CID 115618763
1-(2-methyl-2-methylsulfonylpropyl)-3-propylthiourea
CID 115675105
1-cyclooctyl-3-propylthiourea
CID 19650537
2-hydroxy-N-[(2-methylcyclopropyl)methyl]acetamide
CID 126990825

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopropyl)methyl]-3-propylthiourea?
The IUPAC name of 1-[(2-methylcyclopropyl)methyl]-3-propylthiourea (CID 115583247) is 1-[(2-methylcyclopropyl)methyl]-3-propylthiourea.
What is the SMILES notation for 1-[(2-methylcyclopropyl)methyl]-3-propylthiourea?
The canonical SMILES for 1-[(2-methylcyclopropyl)methyl]-3-propylthiourea is CCCNC(=S)NCC1CC1C.
What is the InChIKey of 1-[(2-methylcyclopropyl)methyl]-3-propylthiourea?
The InChIKey is GMDXBKQWDAGXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-4-10-9(12)11-6-8-5-7(8)2/h7-8H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-[(2-methylcyclopropyl)methyl]-3-propylthiourea?
1-[(2-methylcyclopropyl)methyl]-3-propylthiourea has a molecular weight of 186.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopropyl)methyl]-3-propylthiourea is sourced from PubChem (CID 115583247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).