2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide

C15H24N4O4S — CID 167261263

IUPAC2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NC1CCCC1)NCCN1CC(=O)NCC1=O
InChIInChI=1S/C15H24N4O4S/c20-12-8-19(15(23)7-17-12)6-5-16-13(21)9-24-10-14(22)18-11-3-1-2-4-11/h11H,1-10H2,(H,16,21)(H,17,20)(H,18,22)
InChIKeyWNCKTWCQRGDYOS-UHFFFAOYSA-N
MW356.45 g/mol
LogP-1.15
Rot. Bonds8

About 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide

2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide (PubChem CID 167261263) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide
PubChem CID167261263
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NC1CCCC1)NCCN1CC(=O)NCC1=O
InChIInChI=1S/C15H24N4O4S/c20-12-8-19(15(23)7-17-12)6-5-16-13(21)9-24-10-14(22)18-11-3-1-2-4-11/h11H,1-10H2,(H,16,21)(H,17,20)(H,18,22)
InChIKeyWNCKTWCQRGDYOS-UHFFFAOYSA-N
XLogP-1.15
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide
CID 139516879
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide
CID 139516849
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide
CID 139516814
1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
CID 110747875
2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506275
2-[2-[2-(4-methyl-2-oxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 167261146
(2R)-2-[4-[2-[[2-[2-(cyclononadecylamino)-2-oxoethyl]sulfanylacetyl]amino]ethyl]-2-oxopyrrolidin-1-yl]butanamide
CID 59400507
2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 166506395
2-(cyanomethylsulfanyl)-N-cyclohexylacetamide
CID 60746455
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 139516961
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 139516928
ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate
CID 78760581

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide (CID 167261263) is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide is O=C(CSCC(=O)NC1CCCC1)NCCN1CC(=O)NCC1=O.
What is the InChIKey of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide?
The InChIKey is WNCKTWCQRGDYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c20-12-8-19(15(23)7-17-12)6-5-16-13(21)9-24-10-14(22)18-11-3-1-2-4-11/h11H,1-10H2,(H,16,21)(H,17,20)(H,18,22).
What are the key properties of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide?
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide has a molecular weight of 356.45 g/mol, XLogP of -1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 167261263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).