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

C12H23N3S — CID 105413563

IUPAC3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea
SMILESCN(CC1(N(C)C)CCC1)C(=S)NC1CC1
InChIInChI=1S/C12H23N3S/c1-14(2)12(7-4-8-12)9-15(3)11(16)13-10-5-6-10/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyDTIOJTSCEGJNFP-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.44
Rot. Bonds4

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

3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea (PubChem CID 105413563) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea.

Molecular Properties

Compound Name3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea
PubChem CID105413563
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea
SMILESCN(CC1(N(C)C)CCC1)C(=S)NC1CC1
InChIInChI=1S/C12H23N3S/c1-14(2)12(7-4-8-12)9-15(3)11(16)13-10-5-6-10/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyDTIOJTSCEGJNFP-UHFFFAOYSA-N
XLogP1.44
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.44
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 3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea?
The IUPAC name of 3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea (CID 105413563) is 3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea.
What is the SMILES notation for 3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea?
The canonical SMILES for 3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea is CN(CC1(N(C)C)CCC1)C(=S)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea?
The InChIKey is DTIOJTSCEGJNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-14(2)12(7-4-8-12)9-15(3)11(16)13-10-5-6-10/h10H,4-9H2,1-3H3,(H,13,16).
What are the key properties of 3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea?
3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea has a molecular weight of 241.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea is sourced from PubChem (CID 105413563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).