N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide

C17H29N3O3S — CID 139516881

IUPACN-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCN(CCN1CCCCC1=O)C(=O)CSCC(=O)NCC1CCC1
InChIInChI=1S/C17H29N3O3S/c1-19(9-10-20-8-3-2-7-16(20)22)17(23)13-24-12-15(21)18-11-14-5-4-6-14/h14H,2-13H2,1H3,(H,18,21)
InChIKeyJDINXULOCQVMEV-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.11
Rot. Bonds9

About N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide

N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 139516881) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
PubChem CID139516881
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC NameN-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCN(CCN1CCCCC1=O)C(=O)CSCC(=O)NCC1CCC1
InChIInChI=1S/C17H29N3O3S/c1-19(9-10-20-8-3-2-7-16(20)22)17(23)13-24-12-15(21)18-11-14-5-4-6-14/h14H,2-13H2,1H3,(H,18,21)
InChIKeyJDINXULOCQVMEV-UHFFFAOYSA-N
XLogP1.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide (CID 139516881) is N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide is CN(CCN1CCCCC1=O)C(=O)CSCC(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is JDINXULOCQVMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-19(9-10-20-8-3-2-7-16(20)22)17(23)13-24-12-15(21)18-11-14-5-4-6-14/h14H,2-13H2,1H3,(H,18,21).
What are the key properties of N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide?
N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 355.50 g/mol, XLogP of 1.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[2-[methyl-[2-(2-oxopiperidin-1-yl)ethyl]amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 139516881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).