2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide

C14H25N3O4S2 — CID 139517098

IUPAC2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1CCCS1(=O)=O
InChIInChI=1S/C14H25N3O4S2/c18-13(15-5-7-17-6-2-8-23(17,20)21)10-22-11-14(19)16-9-12-3-1-4-12/h12H,1-11H2,(H,15,18)(H,16,19)
InChIKeyKJEJHWBRNKZBFT-UHFFFAOYSA-N
MW363.51 g/mol
LogP-0.21
Rot. Bonds9

About 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide

2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide (PubChem CID 139517098) has the molecular formula C14H25N3O4S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
PubChem CID139517098
Molecular FormulaC14H25N3O4S2
Molecular Weight363.51 g/mol
Exact Mass363.13
IUPAC Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1CCCS1(=O)=O
InChIInChI=1S/C14H25N3O4S2/c18-13(15-5-7-17-6-2-8-23(17,20)21)10-22-11-14(19)16-9-12-3-1-4-12/h12H,1-11H2,(H,15,18)(H,16,19)
InChIKeyKJEJHWBRNKZBFT-UHFFFAOYSA-N
XLogP-0.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide (CID 139517098) is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide is O=C(CSCC(=O)NCC1CCC1)NCCN1CCCS1(=O)=O.
What is the InChIKey of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide?
The InChIKey is KJEJHWBRNKZBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S2/c18-13(15-5-7-17-6-2-8-23(17,20)21)10-22-11-14(19)16-9-12-3-1-4-12/h12H,1-11H2,(H,15,18)(H,16,19).
What are the key properties of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide?
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide has a molecular weight of 363.51 g/mol, XLogP of -0.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 139517098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).