(2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide

C15H24N2O3S — CID 95599700

IUPAC(2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
SMILESCc1cc(C[S@](=O)[C@H](C)C(=O)NCC2CCCCC2)no1
InChIInChI=1S/C15H24N2O3S/c1-11-8-14(17-20-11)10-21(19)12(2)15(18)16-9-13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3,(H,16,18)/t12-,21+/m1/s1
InChIKeyKGXXLVTWHVNTJB-GTJPDFRWSA-N
MW312.44 g/mol
LogP2.32
Rot. Bonds6

About (2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide

(2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide (PubChem CID 95599700) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
PubChem CID95599700
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
SMILESCc1cc(C[S@](=O)[C@H](C)C(=O)NCC2CCCCC2)no1
InChIInChI=1S/C15H24N2O3S/c1-11-8-14(17-20-11)10-21(19)12(2)15(18)16-9-13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3,(H,16,18)/t12-,21+/m1/s1
InChIKeyKGXXLVTWHVNTJB-GTJPDFRWSA-N
XLogP2.32
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide (CID 95599700) is (2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide is Cc1cc(C[S@](=O)[C@H](C)C(=O)NCC2CCCCC2)no1.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
The InChIKey is KGXXLVTWHVNTJB-GTJPDFRWSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-8-14(17-20-11)10-21(19)12(2)15(18)16-9-13-6-4-3-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3,(H,16,18)/t12-,21+/m1/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
(2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide has a molecular weight of 312.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide is sourced from PubChem (CID 95599700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).