(2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide

C11H17NO4S — CID 97313649

IUPAC(2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@@H](C)C(=O)NCc1ccco1
InChIInChI=1S/C11H17NO4S/c1-8(2)17(14,15)9(3)11(13)12-7-10-5-4-6-16-10/h4-6,8-9H,7H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyDLQKQEDULDALLJ-VIFPVBQESA-N
MW259.33 g/mol
LogP1.11
Rot. Bonds5

About (2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide

(2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide (PubChem CID 97313649) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide
PubChem CID97313649
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name(2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@@H](C)C(=O)NCc1ccco1
InChIInChI=1S/C11H17NO4S/c1-8(2)17(14,15)9(3)11(13)12-7-10-5-4-6-16-10/h4-6,8-9H,7H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyDLQKQEDULDALLJ-VIFPVBQESA-N
XLogP1.11
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide (CID 97313649) is (2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)[C@@H](C)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide?
The InChIKey is DLQKQEDULDALLJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO4S/c1-8(2)17(14,15)9(3)11(13)12-7-10-5-4-6-16-10/h4-6,8-9H,7H2,1-3H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide?
(2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide has a molecular weight of 259.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 97313649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).