1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea

C14H24N2OS — CID 78880733

IUPAC1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CNC(=O)NC(C)CCC(C)C
InChIInChI=1S/C14H24N2OS/c1-10(2)5-6-12(4)16-14(17)15-9-13-11(3)7-8-18-13/h7-8,10,12H,5-6,9H2,1-4H3,(H2,15,16,17)
InChIKeyOJPCWUPTVUZMEV-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.68
Rot. Bonds6

About 1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea

1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 78880733) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID78880733
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CNC(=O)NC(C)CCC(C)C
InChIInChI=1S/C14H24N2OS/c1-10(2)5-6-12(4)16-14(17)15-9-13-11(3)7-8-18-13/h7-8,10,12H,5-6,9H2,1-4H3,(H2,15,16,17)
InChIKeyOJPCWUPTVUZMEV-UHFFFAOYSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea with MolForge

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Related Compounds

1-(4-hydroxy-3-methylbutan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 111454882
(2R)-4-hydroxy-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 107828406
1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206368
(2R)-3,3-dimethyl-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 113353255
(2R)-5-amino-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107831006
1-(5-methylhexan-2-yl)-3-[(2-methylphenyl)methyl]urea
CID 78833745
2-(3-methylbutylsulfinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 75381775
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
N-[4-[(1R)-1-[(3-methylthiophen-2-yl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 33420187
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 82851695
5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 104685344

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea (CID 78880733) is 1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea is Cc1ccsc1CNC(=O)NC(C)CCC(C)C.
What is the InChIKey of 1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is OJPCWUPTVUZMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)5-6-12(4)16-14(17)15-9-13-11(3)7-8-18-13/h7-8,10,12H,5-6,9H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea?
1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 268.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 78880733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).