1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea

C14H22N2O2S — CID 129370932

IUPAC1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea
SMILESCc1cc([C@H](C)NC(=O)NC2CCOCC2)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-9-8-13(11(3)19-9)10(2)15-14(17)16-12-4-6-18-7-5-12/h8,10,12H,4-7H2,1-3H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyHSYDTODCXMHXPQ-JTQLQIEISA-N
MW282.41 g/mol
LogP2.90
Rot. Bonds3

About 1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea

1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea (PubChem CID 129370932) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea
PubChem CID129370932
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea
SMILESCc1cc([C@H](C)NC(=O)NC2CCOCC2)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-9-8-13(11(3)19-9)10(2)15-14(17)16-12-4-6-18-7-5-12/h8,10,12H,4-7H2,1-3H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyHSYDTODCXMHXPQ-JTQLQIEISA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea (CID 129370932) is 1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea is Cc1cc([C@H](C)NC(=O)NC2CCOCC2)c(C)s1.
What is the InChIKey of 1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea?
The InChIKey is HSYDTODCXMHXPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-8-13(11(3)19-9)10(2)15-14(17)16-12-4-6-18-7-5-12/h8,10,12H,4-7H2,1-3H3,(H2,15,16,17)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea?
1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea has a molecular weight of 282.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 129370932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).