2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide

C15H27N3O4S — CID 94453620

IUPAC2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide
SMILESCCN(C(=O)CN(CC(N)=O)C1CCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H27N3O4S/c1-2-18(13-7-8-23(21,22)11-13)15(20)10-17(9-14(16)19)12-5-3-4-6-12/h12-13H,2-11H2,1H3,(H2,16,19)/t13-/m1/s1
InChIKeyALPXDVJIRUBBOH-CYBMUJFWSA-N
MW345.47 g/mol
LogP-0.25
Rot. Bonds7

About 2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide

2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide (PubChem CID 94453620) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide
PubChem CID94453620
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide
SMILESCCN(C(=O)CN(CC(N)=O)C1CCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H27N3O4S/c1-2-18(13-7-8-23(21,22)11-13)15(20)10-17(9-14(16)19)12-5-3-4-6-12/h12-13H,2-11H2,1H3,(H2,16,19)/t13-/m1/s1
InChIKeyALPXDVJIRUBBOH-CYBMUJFWSA-N
XLogP-0.25
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 102676592
2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 82040848
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
2-[azetidin-3-yl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 66215694
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 79645531
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134001295
2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94025370
ethyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoacetate
CID 7732470

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide (CID 94453620) is 2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide is CCN(C(=O)CN(CC(N)=O)C1CCCC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide?
The InChIKey is ALPXDVJIRUBBOH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-2-18(13-7-8-23(21,22)11-13)15(20)10-17(9-14(16)19)12-5-3-4-6-12/h12-13H,2-11H2,1H3,(H2,16,19)/t13-/m1/s1.
What are the key properties of 2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide?
2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide has a molecular weight of 345.47 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 94453620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).