methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate

C11H19NO4S — CID 103239258

IUPACmethyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate
SMILESCOC(=O)C(NC1CCS(=O)(=O)CC1)C1CC1
InChIInChI=1S/C11H19NO4S/c1-16-11(13)10(8-2-3-8)12-9-4-6-17(14,15)7-5-9/h8-10,12H,2-7H2,1H3
InChIKeyQVQNRRHWCNUVHW-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.10
Rot. Bonds4

About methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate

methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate (PubChem CID 103239258) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate
PubChem CID103239258
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Namemethyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate
SMILESCOC(=O)C(NC1CCS(=O)(=O)CC1)C1CC1
InChIInChI=1S/C11H19NO4S/c1-16-11(13)10(8-2-3-8)12-9-4-6-17(14,15)7-5-9/h8-10,12H,2-7H2,1H3
InChIKeyQVQNRRHWCNUVHW-UHFFFAOYSA-N
XLogP0.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate
CID 103256848
2-[(1,1-dioxothian-4-yl)amino]propanamide
CID 43545283
N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine
CID 43511625
methyl (2S)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 7740869
methyl (2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 40546545
methyl 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)amino]acetate
CID 103244098
methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate
CID 104693831
2-[(1,1-dioxothian-4-yl)amino]-3-methoxypropanoic acid
CID 103239254
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate
CID 103254073
ethyl 2-(cyclopentylamino)-2-cyclopropylacetate
CID 61310564

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate (CID 103239258) is methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate is COC(=O)C(NC1CCS(=O)(=O)CC1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate?
The InChIKey is QVQNRRHWCNUVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-16-11(13)10(8-2-3-8)12-9-4-6-17(14,15)7-5-9/h8-10,12H,2-7H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate?
methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate has a molecular weight of 261.34 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate is sourced from PubChem (CID 103239258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).