1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea

C9H18N2S — CID 107397920

IUPAC1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea
SMILESCCN(CC1CCC1)C(=S)NC
InChIInChI=1S/C9H18N2S/c1-3-11(9(12)10-2)7-8-5-4-6-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyVKWUQJDDBDOKRC-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.61
Rot. Bonds3

About 1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea

1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea (PubChem CID 107397920) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea
PubChem CID107397920
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea
SMILESCCN(CC1CCC1)C(=S)NC
InChIInChI=1S/C9H18N2S/c1-3-11(9(12)10-2)7-8-5-4-6-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyVKWUQJDDBDOKRC-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea
CID 116508733
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-methylpropanamide
CID 107398375
N-(cyclobutylmethyl)-N-ethyl-2,2,3,3,3-pentafluoropropanamide
CID 114038274
1-carbamothioyl-N-(cyclobutylmethyl)-N-ethylcyclopropane-1-carboxamide
CID 107398769
2-hydroxyethyl N-(cyclobutylmethyl)-N-ethylcarbamate
CID 107402491
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide
CID 107397616
N-(cyclobutylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 107397947
3-amino-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107397900
N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide
CID 107402360
N-(cyclobutylmethyl)-N-ethylazepane-1-carboxamide
CID 107397929
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
N-(cyclopropylmethyl)-N-ethyl-2-(methylamino)acetamide
CID 63954155

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea?
The IUPAC name of 1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea (CID 107397920) is 1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea?
The canonical SMILES for 1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea is CCN(CC1CCC1)C(=S)NC.
What is the InChIKey of 1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea?
The InChIKey is VKWUQJDDBDOKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-11(9(12)10-2)7-8-5-4-6-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea?
1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea has a molecular weight of 186.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea is sourced from PubChem (CID 107397920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).