1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea

C11H23N3S — CID 105413524

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea
SMILESCCNC(=S)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C11H23N3S/c1-5-12-10(15)14(4)9-11(13(2)3)7-6-8-11/h5-9H2,1-4H3,(H,12,15)
InChIKeyKBBPGNDTRAHZQM-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.30
Rot. Bonds4

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea

1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea (PubChem CID 105413524) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea
PubChem CID105413524
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea
SMILESCCNC(=S)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C11H23N3S/c1-5-12-10(15)14(4)9-11(13(2)3)7-6-8-11/h5-9H2,1-4H3,(H,12,15)
InChIKeyKBBPGNDTRAHZQM-UHFFFAOYSA-N
XLogP1.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
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-ethyl-1-methylthiourea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea (CID 105413524) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea is CCNC(=S)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea?
The InChIKey is KBBPGNDTRAHZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-5-12-10(15)14(4)9-11(13(2)3)7-6-8-11/h5-9H2,1-4H3,(H,12,15).
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea has a molecular weight of 229.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea is sourced from PubChem (CID 105413524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).