1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea

C10H21N3S — CID 105413203

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea
SMILESCCNC(=S)NCC1(N(C)C)CCC1
InChIInChI=1S/C10H21N3S/c1-4-11-9(14)12-8-10(13(2)3)6-5-7-10/h4-8H2,1-3H3,(H2,11,12,14)
InChIKeyPDMDRMRCNXVJNE-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.95
Rot. Bonds4

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea

1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea (PubChem CID 105413203) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea
PubChem CID105413203
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea
SMILESCCNC(=S)NCC1(N(C)C)CCC1
InChIInChI=1S/C10H21N3S/c1-4-11-9(14)12-8-10(13(2)3)6-5-7-10/h4-8H2,1-3H3,(H2,11,12,14)
InChIKeyPDMDRMRCNXVJNE-UHFFFAOYSA-N
XLogP0.95
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea (CID 105413203) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea is CCNC(=S)NCC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea?
The InChIKey is PDMDRMRCNXVJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-4-11-9(14)12-8-10(13(2)3)6-5-7-10/h4-8H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea has a molecular weight of 215.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethylthiourea is sourced from PubChem (CID 105413203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).