benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid

C15H17NO3S — CID 66720257

IUPACbenzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)C(CO)Cc1cccs1
InChIInChI=1S/C15H17NO3S/c17-11-13(9-14-7-4-8-20-14)16(15(18)19)10-12-5-2-1-3-6-12/h1-8,13,17H,9-11H2,(H,18,19)
InChIKeyFAACOFBNSKGATR-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.83
Rot. Bonds6

About benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid

benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid (PubChem CID 66720257) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid.

Molecular Properties

Compound Namebenzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid
PubChem CID66720257
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Namebenzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)C(CO)Cc1cccs1
InChIInChI=1S/C15H17NO3S/c17-11-13(9-14-7-4-8-20-14)16(15(18)19)10-12-5-2-1-3-6-12/h1-8,13,17H,9-11H2,(H,18,19)
InChIKeyFAACOFBNSKGATR-UHFFFAOYSA-N
XLogP2.83
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid?
The IUPAC name of benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid (CID 66720257) is benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid.
What is the SMILES notation for benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid?
The canonical SMILES for benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid is O=C(O)N(Cc1ccccc1)C(CO)Cc1cccs1.
What is the InChIKey of benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid?
The InChIKey is FAACOFBNSKGATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-11-13(9-14-7-4-8-20-14)16(15(18)19)10-12-5-2-1-3-6-12/h1-8,13,17H,9-11H2,(H,18,19).
What are the key properties of benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid?
benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid has a molecular weight of 291.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(1-hydroxy-3-thiophen-2-ylpropan-2-yl)carbamic acid is sourced from PubChem (CID 66720257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).