1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea

C14H25N3OS — CID 47140092

IUPAC1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)NC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C14H25N3OS/c1-10(2)11(3)16-14(18)15-9-12(17(4)5)13-7-6-8-19-13/h6-8,10-12H,9H2,1-5H3,(H2,15,16,18)
InChIKeyCMZXARNGUWDRSV-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.69
Rot. Bonds6

About 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea

1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea (PubChem CID 47140092) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea
PubChem CID47140092
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)NC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C14H25N3OS/c1-10(2)11(3)16-14(18)15-9-12(17(4)5)13-7-6-8-19-13/h6-8,10-12H,9H2,1-5H3,(H2,15,16,18)
InChIKeyCMZXARNGUWDRSV-UHFFFAOYSA-N
XLogP2.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea (CID 47140092) is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea is CC(C)C(C)NC(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea?
The InChIKey is CMZXARNGUWDRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10(2)11(3)16-14(18)15-9-12(17(4)5)13-7-6-8-19-13/h6-8,10-12H,9H2,1-5H3,(H2,15,16,18).
What are the key properties of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea?
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea has a molecular weight of 283.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea is sourced from PubChem (CID 47140092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).