2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide

C9H21N3O4S — CID 43545998

IUPAC2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCCNS(C)(=O)=O
InChIInChI=1S/C9H21N3O4S/c1-8(9(13)11-6-7-16-2)10-4-5-12-17(3,14)15/h8,10,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyKEHGDNOHTLFDBE-UHFFFAOYSA-N
MW267.35 g/mol
LogP-1.72
Rot. Bonds9

About 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide

2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 43545998) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide
PubChem CID43545998
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCCNS(C)(=O)=O
InChIInChI=1S/C9H21N3O4S/c1-8(9(13)11-6-7-16-2)10-4-5-12-17(3,14)15/h8,10,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyKEHGDNOHTLFDBE-UHFFFAOYSA-N
XLogP-1.72
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.72
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide (CID 43545998) is 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NCCNS(C)(=O)=O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is KEHGDNOHTLFDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-8(9(13)11-6-7-16-2)10-4-5-12-17(3,14)15/h8,10,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide?
2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 267.35 g/mol, XLogP of -1.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43545998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).