2-methoxyethyl N-(chlorosulfanylmethyl)carbamate

C5H10ClNO3S — CID 71371237

IUPAC2-methoxyethyl N-(chlorosulfanylmethyl)carbamate
SMILESCOCCOC(=O)NCSCl
InChIInChI=1S/C5H10ClNO3S/c1-9-2-3-10-5(8)7-4-11-6/h2-4H2,1H3,(H,7,8)
InChIKeyPOESHGPDXFEAQE-UHFFFAOYSA-N
MW199.66 g/mol
LogP1.20
Rot. Bonds5

About 2-methoxyethyl N-(chlorosulfanylmethyl)carbamate

2-methoxyethyl N-(chlorosulfanylmethyl)carbamate (PubChem CID 71371237) has the molecular formula C5H10ClNO3S and a molecular weight of 199.66 g/mol. Its IUPAC name is 2-methoxyethyl N-(chlorosulfanylmethyl)carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-(chlorosulfanylmethyl)carbamate
PubChem CID71371237
Molecular FormulaC5H10ClNO3S
Molecular Weight199.66 g/mol
Exact Mass199.01
IUPAC Name2-methoxyethyl N-(chlorosulfanylmethyl)carbamate
SMILESCOCCOC(=O)NCSCl
InChIInChI=1S/C5H10ClNO3S/c1-9-2-3-10-5(8)7-4-11-6/h2-4H2,1H3,(H,7,8)
InChIKeyPOESHGPDXFEAQE-UHFFFAOYSA-N
XLogP1.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
propyl 2-(2-methoxyethoxycarbonylamino)acetate
CID 91693785
2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 177055297
2-methoxyethyl N-[[bis(hydroxymethyl)carbamoylamino]methyl]carbamate
CID 59532811
propyl N-(methoxymethyl)carbamate
CID 142704391
2-methoxyethyl N-(piperidin-4-ylmethyl)carbamate
CID 145158678
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
lithium 2-methoxyethyl carbonate
CID 139846001
ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate
CID 10924821
2-trimethylsilylethyl N-(methoxymethyl)carbamate
CID 155582903
2-methoxyethyl 3-(methoxycarbonylamino)propanoate
CID 71878122
2-hydroxyethyl N-(methylsulfanylmethylsulfanylmethylsulfanylmethyl)carbamate
CID 58670771

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(chlorosulfanylmethyl)carbamate?
The IUPAC name of 2-methoxyethyl N-(chlorosulfanylmethyl)carbamate (CID 71371237) is 2-methoxyethyl N-(chlorosulfanylmethyl)carbamate.
What is the SMILES notation for 2-methoxyethyl N-(chlorosulfanylmethyl)carbamate?
The canonical SMILES for 2-methoxyethyl N-(chlorosulfanylmethyl)carbamate is COCCOC(=O)NCSCl.
What is the InChIKey of 2-methoxyethyl N-(chlorosulfanylmethyl)carbamate?
The InChIKey is POESHGPDXFEAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO3S/c1-9-2-3-10-5(8)7-4-11-6/h2-4H2,1H3,(H,7,8).
What are the key properties of 2-methoxyethyl N-(chlorosulfanylmethyl)carbamate?
2-methoxyethyl N-(chlorosulfanylmethyl)carbamate has a molecular weight of 199.66 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(chlorosulfanylmethyl)carbamate is sourced from PubChem (CID 71371237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).