methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate

C6H14N2O4S2 — CID 140578167

IUPACmethanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCSNS(C)(=O)=O
InChIInChI=1S/C6H14N2O4S2/c1-4-8(2)6(9)12-5-13-7-14(3,10)11/h7H,4-5H2,1-3H3
InChIKeyIHLNODPRXMRNRQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.23
Rot. Bonds5

About methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate

methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate (PubChem CID 140578167) has the molecular formula C6H14N2O4S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Namemethanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate
PubChem CID140578167
Molecular FormulaC6H14N2O4S2
Molecular Weight242.32 g/mol
Exact Mass242.04
IUPAC Namemethanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCSNS(C)(=O)=O
InChIInChI=1S/C6H14N2O4S2/c1-4-8(2)6(9)12-5-13-7-14(3,10)11/h7H,4-5H2,1-3H3
InChIKeyIHLNODPRXMRNRQ-UHFFFAOYSA-N
XLogP0.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.23
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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Frequently Asked Questions

What is the IUPAC name of methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate?
The IUPAC name of methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate (CID 140578167) is methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate?
The canonical SMILES for methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OCSNS(C)(=O)=O.
What is the InChIKey of methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate?
The InChIKey is IHLNODPRXMRNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S2/c1-4-8(2)6(9)12-5-13-7-14(3,10)11/h7H,4-5H2,1-3H3.
What are the key properties of methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate?
methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate has a molecular weight of 242.32 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonamidosulfanylmethyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 140578167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).