2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide

C15H25N3O3S — CID 139517040

IUPAC2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1CCCC1=O
InChIInChI=1S/C15H25N3O3S/c19-13(16-6-8-18-7-2-5-15(18)21)10-22-11-14(20)17-9-12-3-1-4-12/h12H,1-11H2,(H,16,19)(H,17,20)
InChIKeyOCIUZBCUVPQCQU-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.37
Rot. Bonds9

About 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide

2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide (PubChem CID 139517040) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
PubChem CID139517040
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1CCCC1=O
InChIInChI=1S/C15H25N3O3S/c19-13(16-6-8-18-7-2-5-15(18)21)10-22-11-14(20)17-9-12-3-1-4-12/h12H,1-11H2,(H,16,19)(H,17,20)
InChIKeyOCIUZBCUVPQCQU-UHFFFAOYSA-N
XLogP0.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide (CID 139517040) is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide is O=C(CSCC(=O)NCC1CCC1)NCCN1CCCC1=O.
What is the InChIKey of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is OCIUZBCUVPQCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c19-13(16-6-8-18-7-2-5-15(18)21)10-22-11-14(20)17-9-12-3-1-4-12/h12H,1-11H2,(H,16,19)(H,17,20).
What are the key properties of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 327.45 g/mol, XLogP of 0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 139517040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).