N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C15H26N2O2S — CID 95156131

IUPACN-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC[C@@H](C)[C@@H](C)N(C(=O)CCN1CCSC1=O)C1CC1
InChIInChI=1S/C15H26N2O2S/c1-4-11(2)12(3)17(13-5-6-13)14(18)7-8-16-9-10-20-15(16)19/h11-13H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyIOWQDLSFBASBCW-VXGBXAGGSA-N
MW298.45 g/mol
LogP2.97
Rot. Bonds7

About N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 95156131) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID95156131
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC[C@@H](C)[C@@H](C)N(C(=O)CCN1CCSC1=O)C1CC1
InChIInChI=1S/C15H26N2O2S/c1-4-11(2)12(3)17(13-5-6-13)14(18)7-8-16-9-10-20-15(16)19/h11-13H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyIOWQDLSFBASBCW-VXGBXAGGSA-N
XLogP2.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 95156131) is N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CC[C@@H](C)[C@@H](C)N(C(=O)CCN1CCSC1=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is IOWQDLSFBASBCW-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-11(2)12(3)17(13-5-6-13)14(18)7-8-16-9-10-20-15(16)19/h11-13H,4-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 298.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2R,3R)-3-methylpentan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 95156131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).