2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide

C14H25N3O3S2 — CID 139517068

IUPAC2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1CCSC1O
InChIInChI=1S/C14H25N3O3S2/c18-12(15-4-5-17-6-7-22-14(17)20)9-21-10-13(19)16-8-11-2-1-3-11/h11,14,20H,1-10H2,(H,15,18)(H,16,19)
InChIKeyUUNRJZNARQLISR-UHFFFAOYSA-N
MW347.51 g/mol
LogP0.08
Rot. Bonds9

About 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide

2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 139517068) has the molecular formula C14H25N3O3S2 and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID139517068
Molecular FormulaC14H25N3O3S2
Molecular Weight347.51 g/mol
Exact Mass347.13
IUPAC Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1CCSC1O
InChIInChI=1S/C14H25N3O3S2/c18-12(15-4-5-17-6-7-22-14(17)20)9-21-10-13(19)16-8-11-2-1-3-11/h11,14,20H,1-10H2,(H,15,18)(H,16,19)
InChIKeyUUNRJZNARQLISR-UHFFFAOYSA-N
XLogP0.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 139517068) is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide is O=C(CSCC(=O)NCC1CCC1)NCCN1CCSC1O.
What is the InChIKey of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is UUNRJZNARQLISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S2/c18-12(15-4-5-17-6-7-22-14(17)20)9-21-10-13(19)16-8-11-2-1-3-11/h11,14,20H,1-10H2,(H,15,18)(H,16,19).
What are the key properties of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 347.51 g/mol, XLogP of 0.08, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-hydroxy-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 139517068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).