methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate

C14H20N2O5S2 — CID 72717990

IUPACmethyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NCC2(OC)CCSC2)cc1
InChIInChI=1S/C14H20N2O5S2/c1-20-13(17)16-11-3-5-12(6-4-11)23(18,19)15-9-14(21-2)7-8-22-10-14/h3-6,15H,7-10H2,1-2H3,(H,16,17)
InChIKeyFBCVWVICIZVOLA-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.67
Rot. Bonds6

About methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate

methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate (PubChem CID 72717990) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate
PubChem CID72717990
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Namemethyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NCC2(OC)CCSC2)cc1
InChIInChI=1S/C14H20N2O5S2/c1-20-13(17)16-11-3-5-12(6-4-11)23(18,19)15-9-14(21-2)7-8-22-10-14/h3-6,15H,7-10H2,1-2H3,(H,16,17)
InChIKeyFBCVWVICIZVOLA-UHFFFAOYSA-N
XLogP1.67
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate with MolForge

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Related Compounds

methyl 4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]benzoate
CID 97414750
4-tert-butyl-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584402
3-chloro-4-methoxy-N-[[(3S)-3-methoxythiolan-3-yl]methyl]benzenesulfonamide
CID 97414736
N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide
CID 97414748
1-(4-methoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804942
methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate
CID 71806721
5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide
CID 97414702
5-fluoro-2-methoxy-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584395
N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 97414697
N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
CID 97414772
2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide
CID 97414730
1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450108

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate (CID 72717990) is methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)NCC2(OC)CCSC2)cc1.
What is the InChIKey of methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate?
The InChIKey is FBCVWVICIZVOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-20-13(17)16-11-3-5-12(6-4-11)23(18,19)15-9-14(21-2)7-8-22-10-14/h3-6,15H,7-10H2,1-2H3,(H,16,17).
What are the key properties of methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate?
methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate has a molecular weight of 360.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate is sourced from PubChem (CID 72717990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).