N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide

C14H21N3O4S — CID 167261345

IUPACN-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide
SMILESO=C(CCCN1C(=O)CSC1=O)NCCC(=O)NC1CCC1
InChIInChI=1S/C14H21N3O4S/c18-11(5-2-8-17-13(20)9-22-14(17)21)15-7-6-12(19)16-10-3-1-4-10/h10H,1-9H2,(H,15,18)(H,16,19)
InChIKeyJSRKSLDNBPQCHV-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.64
Rot. Bonds8

About N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide

N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide (PubChem CID 167261345) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide.

Molecular Properties

Compound NameN-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide
PubChem CID167261345
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide
SMILESO=C(CCCN1C(=O)CSC1=O)NCCC(=O)NC1CCC1
InChIInChI=1S/C14H21N3O4S/c18-11(5-2-8-17-13(20)9-22-14(17)21)15-7-6-12(19)16-10-3-1-4-10/h10H,1-9H2,(H,15,18)(H,16,19)
InChIKeyJSRKSLDNBPQCHV-UHFFFAOYSA-N
XLogP0.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide?
The IUPAC name of N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide (CID 167261345) is N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide.
What is the SMILES notation for N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide?
The canonical SMILES for N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide is O=C(CCCN1C(=O)CSC1=O)NCCC(=O)NC1CCC1.
What is the InChIKey of N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide?
The InChIKey is JSRKSLDNBPQCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c18-11(5-2-8-17-13(20)9-22-14(17)21)15-7-6-12(19)16-10-3-1-4-10/h10H,1-9H2,(H,15,18)(H,16,19).
What are the key properties of N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide?
N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide has a molecular weight of 327.41 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclobutylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanamide is sourced from PubChem (CID 167261345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).