methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate

C10H19NO6S2 — CID 55005731

IUPACmethyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO6S2/c1-8(2)11(6-10(12)17-3)19(15,16)9-4-5-18(13,14)7-9/h8-9H,4-7H2,1-3H3
InChIKeyKUSGCSCKFPKUMF-UHFFFAOYSA-N
MW313.40 g/mol
LogP-0.61
Rot. Bonds5

About methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate

methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate (PubChem CID 55005731) has the molecular formula C10H19NO6S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate
PubChem CID55005731
Molecular FormulaC10H19NO6S2
Molecular Weight313.40 g/mol
Exact Mass313.07
IUPAC Namemethyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO6S2/c1-8(2)11(6-10(12)17-3)19(15,16)9-4-5-18(13,14)7-9/h8-9H,4-7H2,1-3H3
InChIKeyKUSGCSCKFPKUMF-UHFFFAOYSA-N
XLogP-0.61
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate with MolForge

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Related Compounds

methyl 2-[(3S)-1,1-dioxothiolan-3-yl]sulfonylacetate
CID 7361246
methyl 2-[[(2S)-butan-2-yl]-cyclopropylsulfonylamino]acetate
CID 129434074
methyl 3-(1,1-dioxothiolan-3-yl)sulfonyl-2-methylpropanoate
CID 66116046
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
3-[(1,1-dioxothian-4-yl)sulfonyl-propan-2-ylamino]propanoic acid
CID 62084051
methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate
CID 107776619
methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952441
methyl 2-[acetyl-[(3R)-1,1-dioxothiolan-3-yl]amino]acetate
CID 39884592
2-[butan-2-yl-(1,1-dioxothian-4-yl)sulfonylamino]acetic acid
CID 62083696
methyl 2-[(1,1-dioxothiolan-3-yl)-(3-methylbutanoyl)amino]acetate
CID 43839665
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
methyl (3S)-1-(1,1-dioxothiolan-3-yl)sulfonylpiperidine-3-carboxylate
CID 115536276

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate (CID 55005731) is methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate is COC(=O)CN(C(C)C)S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate?
The InChIKey is KUSGCSCKFPKUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S2/c1-8(2)11(6-10(12)17-3)19(15,16)9-4-5-18(13,14)7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate?
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate has a molecular weight of 313.40 g/mol, XLogP of -0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate is sourced from PubChem (CID 55005731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).