methanesulfonamidosulfanylmethyl propanoate

C5H11NO4S2 — CID 87407316

IUPACmethanesulfonamidosulfanylmethyl propanoate
SMILESCCC(=O)OCSNS(C)(=O)=O
InChIInChI=1S/C5H11NO4S2/c1-3-5(7)10-4-11-6-12(2,8)9/h6H,3-4H2,1-2H3
InChIKeyWLZFPWDQGSLOLS-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.09
Rot. Bonds5

About methanesulfonamidosulfanylmethyl propanoate

methanesulfonamidosulfanylmethyl propanoate (PubChem CID 87407316) has the molecular formula C5H11NO4S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is methanesulfonamidosulfanylmethyl propanoate.

Molecular Properties

Compound Namemethanesulfonamidosulfanylmethyl propanoate
PubChem CID87407316
Molecular FormulaC5H11NO4S2
Molecular Weight213.28 g/mol
Exact Mass213.01
IUPAC Namemethanesulfonamidosulfanylmethyl propanoate
SMILESCCC(=O)OCSNS(C)(=O)=O
InChIInChI=1S/C5H11NO4S2/c1-3-5(7)10-4-11-6-12(2,8)9/h6H,3-4H2,1-2H3
InChIKeyWLZFPWDQGSLOLS-UHFFFAOYSA-N
XLogP0.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate
CID 140578167
ethyl propanoate;methanesulfonic acid
CID 159764839
propanoyloxymethanesulfonic acid
CID 151221600
potassium;hydride;propanoyloxymethanesulfonic acid
CID 174802933
magnesium;hydride;propanoyloxymethanesulfonic acid
CID 174802870
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
methyl methanesulfonate;methyl propanoate
CID 174856082
ethyl propanoate;methane
CID 161360642
lithium;hydride;methyl propanoate
CID 174158387
alumane;ethyl propanoate
CID 174257559
methyl propanoate;sulfuryl difluoride
CID 146421317
diethoxyphosphorylmethyl propanoate
CID 12709685

Frequently Asked Questions

What is the IUPAC name of methanesulfonamidosulfanylmethyl propanoate?
The IUPAC name of methanesulfonamidosulfanylmethyl propanoate (CID 87407316) is methanesulfonamidosulfanylmethyl propanoate.
What is the SMILES notation for methanesulfonamidosulfanylmethyl propanoate?
The canonical SMILES for methanesulfonamidosulfanylmethyl propanoate is CCC(=O)OCSNS(C)(=O)=O.
What is the InChIKey of methanesulfonamidosulfanylmethyl propanoate?
The InChIKey is WLZFPWDQGSLOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S2/c1-3-5(7)10-4-11-6-12(2,8)9/h6H,3-4H2,1-2H3.
What are the key properties of methanesulfonamidosulfanylmethyl propanoate?
methanesulfonamidosulfanylmethyl propanoate has a molecular weight of 213.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonamidosulfanylmethyl propanoate is sourced from PubChem (CID 87407316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).