1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea

C8H16N2S — CID 103734939

IUPAC1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea
SMILESCCC1(CNC(=S)NC)CC1
InChIInChI=1S/C8H16N2S/c1-3-8(4-5-8)6-10-7(11)9-2/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyAWEJLILOCWOZQW-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.27
Rot. Bonds3

About 1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea

1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea (PubChem CID 103734939) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea
PubChem CID103734939
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea
SMILESCCC1(CNC(=S)NC)CC1
InChIInChI=1S/C8H16N2S/c1-3-8(4-5-8)6-10-7(11)9-2/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyAWEJLILOCWOZQW-UHFFFAOYSA-N
XLogP1.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.27
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

N-[(1-ethylcyclopentyl)methyl]-2-(methylamino)acetamide
CID 103812596
3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide
CID 103796646
1-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119322718
2-[(1-ethylcyclopentyl)methylamino]-2-oxoacetic acid
CID 104768310
2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide
CID 103840339
1-(4-aminophenyl)-3-[(1-ethylcyclopropyl)methyl]urea
CID 114100683
1-[(1-methylcyclopentyl)methyl]-3-propylthiourea
CID 115618763
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
CID 103764918
2-(azetidin-3-yl)-N-[(1-ethylcyclopropyl)methyl]acetamide
CID 103810817
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114101646
N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 114101897

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea?
The IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea (CID 103734939) is 1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea is CCC1(CNC(=S)NC)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea?
The InChIKey is AWEJLILOCWOZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-3-8(4-5-8)6-10-7(11)9-2/h3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea?
1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea has a molecular weight of 172.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopropyl)methyl]-3-methylthiourea is sourced from PubChem (CID 103734939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).