N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide

C10H21N3O4S — CID 103833077

IUPACN-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)C1CC(OC)CN1
InChIInChI=1S/C10H21N3O4S/c1-3-13-18(15,16)5-4-11-10(14)9-6-8(17-2)7-12-9/h8-9,12-13H,3-7H2,1-2H3,(H,11,14)
InChIKeyKTAWHVCPJXTNSB-UHFFFAOYSA-N
MW279.36 g/mol
LogP-1.58
Rot. Bonds7

About N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide

N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 103833077) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID103833077
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC NameN-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)C1CC(OC)CN1
InChIInChI=1S/C10H21N3O4S/c1-3-13-18(15,16)5-4-11-10(14)9-6-8(17-2)7-12-9/h8-9,12-13H,3-7H2,1-2H3,(H,11,14)
InChIKeyKTAWHVCPJXTNSB-UHFFFAOYSA-N
XLogP-1.58
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide (CID 103833077) is N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide is CCNS(=O)(=O)CCNC(=O)C1CC(OC)CN1.
What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is KTAWHVCPJXTNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-3-13-18(15,16)5-4-11-10(14)9-6-8(17-2)7-12-9/h8-9,12-13H,3-7H2,1-2H3,(H,11,14).
What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 279.36 g/mol, XLogP of -1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 103833077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).