methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate

C8H10ClNO4S2 — CID 75524953

IUPACmethyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C8H10ClNO4S2/c1-14-8(11)10-5-4-6-2-3-7(15-6)16(9,12)13/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyTWRZHJIFWONYRV-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.57
Rot. Bonds4

About methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate

methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate (PubChem CID 75524953) has the molecular formula C8H10ClNO4S2 and a molecular weight of 283.76 g/mol. Its IUPAC name is methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate
PubChem CID75524953
Molecular FormulaC8H10ClNO4S2
Molecular Weight283.76 g/mol
Exact Mass282.97
IUPAC Namemethyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C8H10ClNO4S2/c1-14-8(11)10-5-4-6-2-3-7(15-6)16(9,12)13/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyTWRZHJIFWONYRV-UHFFFAOYSA-N
XLogP1.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43133893
5-(2-(2,2-Dimethylpropanamido)ethyl)thiophene-2-sulfonyl chloride
CID 24688786
5-[2-(3-Methylbutanamido)ethyl]thiophene-2-sulfonyl chloride
CID 24688936
5-(1-Acetamidoethyl)thiophene-2-sulfonyl chloride
CID 24689365
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
methyl N-[2-(5-sulfamoylthiophen-2-yl)ethyl]carbamate
CID 61132066
5-[2-(3,3,3-Trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43097912
methyl N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]carbamate
CID 45554548
ethyl N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]carbamate
CID 45554549
2,2,2-Trifluoroethyl 5-(2-acetamidoethyl)thiophene-2-sulfonate
CID 47358718
5-[2-[(2,2-Difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 103513538
Methyl N-{2-[5-(fluorosulfonyl)thiophen-2-yl]ethyl}carbamate
CID 122236052

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate (CID 75524953) is methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate is COC(=O)NCCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate?
The InChIKey is TWRZHJIFWONYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO4S2/c1-14-8(11)10-5-4-6-2-3-7(15-6)16(9,12)13/h2-3H,4-5H2,1H3,(H,10,11).
What are the key properties of methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate?
methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate has a molecular weight of 283.76 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 75524953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).