1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea

C14H18N2OS — CID 71031668

IUPAC1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea
SMILESO=C(NCc1cccs1)NC12CC3CC(C3)(C1)C2
InChIInChI=1S/C14H18N2OS/c17-12(15-7-11-2-1-3-18-11)16-14-6-10-4-13(5-10,8-14)9-14/h1-3,10H,4-9H2,(H2,15,16,17)
InChIKeySIRGWPUWYUBKEY-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.88
Rot. Bonds3

About 1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea

1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea (PubChem CID 71031668) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea
PubChem CID71031668
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea
SMILESO=C(NCc1cccs1)NC12CC3CC(C3)(C1)C2
InChIInChI=1S/C14H18N2OS/c17-12(15-7-11-2-1-3-18-11)16-14-6-10-4-13(5-10,8-14)9-14/h1-3,10H,4-9H2,(H2,15,16,17)
InChIKeySIRGWPUWYUBKEY-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-adamantylcarbamoylamino)phenyl]-N-(thiophen-2-ylmethyl)acetamide
CID 121126857
N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163003
N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
CID 53350955
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide
CID 91580682
2-(3-bromo-1-adamantyl)-N-(thiophen-2-ylmethyl)acetamide
CID 4814345
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea
CID 111630265
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea?
The IUPAC name of 1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea (CID 71031668) is 1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea is O=C(NCc1cccs1)NC12CC3CC(C3)(C1)C2.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea?
The InChIKey is SIRGWPUWYUBKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-12(15-7-11-2-1-3-18-11)16-14-6-10-4-13(5-10,8-14)9-14/h1-3,10H,4-9H2,(H2,15,16,17).
What are the key properties of 1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea?
1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea has a molecular weight of 262.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-3-(3-tricyclo[3.1.1.11,3]octanyl)urea is sourced from PubChem (CID 71031668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).