(2R)-2-benzylsulfanyl-N-tert-butylpropanamide

C14H21NOS — CID 846878

IUPAC(2R)-2-benzylsulfanyl-N-tert-butylpropanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H21NOS/c1-11(13(16)15-14(2,3)4)17-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyWAURZRMCCWVNNX-LLVKDONJSA-N
MW251.40 g/mol
LogP3.22
Rot. Bonds4

About (2R)-2-benzylsulfanyl-N-tert-butylpropanamide

(2R)-2-benzylsulfanyl-N-tert-butylpropanamide (PubChem CID 846878) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is (2R)-2-benzylsulfanyl-N-tert-butylpropanamide.

Molecular Properties

Compound Name(2R)-2-benzylsulfanyl-N-tert-butylpropanamide
PubChem CID846878
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name(2R)-2-benzylsulfanyl-N-tert-butylpropanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H21NOS/c1-11(13(16)15-14(2,3)4)17-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyWAURZRMCCWVNNX-LLVKDONJSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylsulfanyl-N-tert-butylpropanamide?
The IUPAC name of (2R)-2-benzylsulfanyl-N-tert-butylpropanamide (CID 846878) is (2R)-2-benzylsulfanyl-N-tert-butylpropanamide.
What is the SMILES notation for (2R)-2-benzylsulfanyl-N-tert-butylpropanamide?
The canonical SMILES for (2R)-2-benzylsulfanyl-N-tert-butylpropanamide is C[C@@H](SCc1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-2-benzylsulfanyl-N-tert-butylpropanamide?
The InChIKey is WAURZRMCCWVNNX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(13(16)15-14(2,3)4)17-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-benzylsulfanyl-N-tert-butylpropanamide?
(2R)-2-benzylsulfanyl-N-tert-butylpropanamide has a molecular weight of 251.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylsulfanyl-N-tert-butylpropanamide is sourced from PubChem (CID 846878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).