2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C16H28N2O4S — CID 94025370

IUPAC2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCCN(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C16H28N2O4S/c1-2-17(13-5-6-13)11-16(19)18(10-15-4-3-8-22-15)14-7-9-23(20,21)12-14/h13-15H,2-12H2,1H3/t14-,15-/m1/s1
InChIKeyCGNXWVLSNJNOLA-HUUCEWRRSA-N
MW344.48 g/mol
LogP0.67
Rot. Bonds7

About 2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 94025370) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID94025370
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC Name2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCCN(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C16H28N2O4S/c1-2-17(13-5-6-13)11-16(19)18(10-15-4-3-8-22-15)14-7-9-23(20,21)12-14/h13-15H,2-12H2,1H3/t14-,15-/m1/s1
InChIKeyCGNXWVLSNJNOLA-HUUCEWRRSA-N
XLogP0.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 60500255
2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409966
3-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95150130
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409815
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 55648628
2-[1-adamantylmethyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 78827698
2-[benzyl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409905
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(3-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 55648932
2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409841
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409917
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3R)-3-methylpiperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124740920
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 55409326

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 94025370) is 2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CCN(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is CGNXWVLSNJNOLA-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-2-17(13-5-6-13)11-16(19)18(10-15-4-3-8-22-15)14-7-9-23(20,21)12-14/h13-15H,2-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 344.48 g/mol, XLogP of 0.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 94025370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).