3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea

C12H20N2O2S — CID 110663757

IUPAC3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea
SMILESCN(CC(O)c1cccs1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)13-11(16)14(4)8-9(15)10-6-5-7-17-10/h5-7,9,15H,8H2,1-4H3,(H,13,16)
InChIKeyBCUSNNSKEFSUQG-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.22
Rot. Bonds3

About 3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea

3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea (PubChem CID 110663757) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea.

Molecular Properties

Compound Name3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea
PubChem CID110663757
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea
SMILESCN(CC(O)c1cccs1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)13-11(16)14(4)8-9(15)10-6-5-7-17-10/h5-7,9,15H,8H2,1-4H3,(H,13,16)
InChIKeyBCUSNNSKEFSUQG-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide
CID 113293230
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide
CID 110663588
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide
CID 110663593
N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
CID 115356281
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
4-(tert-butylamino)-4-oxo-2-thiophen-2-ylbutanoic acid
CID 70083216
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110663570
1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317503

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea?
The IUPAC name of 3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea (CID 110663757) is 3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea.
What is the SMILES notation for 3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea?
The canonical SMILES for 3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea is CN(CC(O)c1cccs1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea?
The InChIKey is BCUSNNSKEFSUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2,3)13-11(16)14(4)8-9(15)10-6-5-7-17-10/h5-7,9,15H,8H2,1-4H3,(H,13,16).
What are the key properties of 3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea?
3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea has a molecular weight of 256.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea is sourced from PubChem (CID 110663757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).