2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate

C10H15N3O4S — CID 83203795

IUPAC2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate
SMILESCNc1ccc(S(=O)(=O)NCCOC(N)=O)cc1
InChIInChI=1S/C10H15N3O4S/c1-12-8-2-4-9(5-3-8)18(15,16)13-6-7-17-10(11)14/h2-5,12-13H,6-7H2,1H3,(H2,11,14)
InChIKeyXCIZEAOSERUBBM-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.10
Rot. Bonds6

About 2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate

2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate (PubChem CID 83203795) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate
PubChem CID83203795
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate
SMILESCNc1ccc(S(=O)(=O)NCCOC(N)=O)cc1
InChIInChI=1S/C10H15N3O4S/c1-12-8-2-4-9(5-3-8)18(15,16)13-6-7-17-10(11)14/h2-5,12-13H,6-7H2,1H3,(H2,11,14)
InChIKeyXCIZEAOSERUBBM-UHFFFAOYSA-N
XLogP0.10
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[4-(methylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240991
5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
CID 83202818
2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide
CID 106279964
2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
CID 83202632
2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
CID 83204442
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83202394
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
N-(2-ethoxyethyl)-4-hydrazinylbenzenesulfonamide
CID 43591531
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate
CID 83205612
[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
CID 169358592

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate (CID 83203795) is 2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate is CNc1ccc(S(=O)(=O)NCCOC(N)=O)cc1.
What is the InChIKey of 2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate?
The InChIKey is XCIZEAOSERUBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-12-8-2-4-9(5-3-8)18(15,16)13-6-7-17-10(11)14/h2-5,12-13H,6-7H2,1H3,(H2,11,14).
What are the key properties of 2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate?
2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate has a molecular weight of 273.31 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83203795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).