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

C15H26N2O4S — CID 98720488

IUPAC2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@]1(NC(=O)CN(C[C@H]2CCOC2)C2CC2)CCS(=O)(=O)C1
InChIInChI=1S/C15H26N2O4S/c1-15(5-7-22(19,20)11-15)16-14(18)9-17(13-2-3-13)8-12-4-6-21-10-12/h12-13H,2-11H2,1H3,(H,16,18)/t12-,15+/m1/s1
InChIKeyYBBMYNDYULIGDR-DOMZBBRYSA-N
MW330.45 g/mol
LogP0.18
Rot. Bonds6

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

2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 98720488) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID98720488
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@]1(NC(=O)CN(C[C@H]2CCOC2)C2CC2)CCS(=O)(=O)C1
InChIInChI=1S/C15H26N2O4S/c1-15(5-7-22(19,20)11-15)16-14(18)9-17(13-2-3-13)8-12-4-6-21-10-12/h12-13H,2-11H2,1H3,(H,16,18)/t12-,15+/m1/s1
InChIKeyYBBMYNDYULIGDR-DOMZBBRYSA-N
XLogP0.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 79112855
N-cyclopropyl-2-[cyclopropyl(oxolan-3-ylmethyl)amino]acetamide
CID 51080751
N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide
CID 51946798
2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide
CID 51728486
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301864
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
N-(1-methylcyclopropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 130676396
methyl 2-[cyclopentyl(oxolan-3-ylmethyl)amino]acetate
CID 80708077
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78963352
2-[[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839849
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86989385

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 98720488) is 2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is C[C@]1(NC(=O)CN(C[C@H]2CCOC2)C2CC2)CCS(=O)(=O)C1.
What is the InChIKey of 2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is YBBMYNDYULIGDR-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-15(5-7-22(19,20)11-15)16-14(18)9-17(13-2-3-13)8-12-4-6-21-10-12/h12-13H,2-11H2,1H3,(H,16,18)/t12-,15+/m1/s1.
What are the key properties of 2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 98720488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).