1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea

C15H26N2O2S2 — CID 111438387

IUPAC1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
SMILESCSCC(C)(O)CNC(=O)NC(CC(C)C)c1cccs1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)8-12(13-6-5-7-21-13)17-14(18)16-9-15(3,19)10-20-4/h5-7,11-12,19H,8-10H2,1-4H3,(H2,16,17,18)
InChIKeyUIEVSNNDIFOCQG-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.25
Rot. Bonds8

About 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea

1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea (PubChem CID 111438387) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
PubChem CID111438387
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
SMILESCSCC(C)(O)CNC(=O)NC(CC(C)C)c1cccs1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)8-12(13-6-5-7-21-13)17-14(18)16-9-15(3,19)10-20-4/h5-7,11-12,19H,8-10H2,1-4H3,(H2,16,17,18)
InChIKeyUIEVSNNDIFOCQG-UHFFFAOYSA-N
XLogP3.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
CID 113308183
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 86826124
2-hydroxy-2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]propanoic acid
CID 66177213
(E)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 90522962
1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438906
2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596104
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90523066
1-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438333
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide
CID 113279319
1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-thiophen-2-ylpropyl)urea
CID 75383509

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea?
The IUPAC name of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea (CID 111438387) is 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea is CSCC(C)(O)CNC(=O)NC(CC(C)C)c1cccs1.
What is the InChIKey of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea?
The InChIKey is UIEVSNNDIFOCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11(2)8-12(13-6-5-7-21-13)17-14(18)16-9-15(3,19)10-20-4/h5-7,11-12,19H,8-10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea?
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea has a molecular weight of 330.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea is sourced from PubChem (CID 111438387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).