2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide

C10H23N3O4S — CID 106336845

IUPAC2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCCCNS(C)(=O)=O
InChIInChI=1S/C10H23N3O4S/c1-17-8-4-6-12-10(14)9-11-5-3-7-13-18(2,15)16/h11,13H,3-9H2,1-2H3,(H,12,14)
InChIKeyAIEMUVZKQNUYIC-UHFFFAOYSA-N
MW281.38 g/mol
LogP-1.33
Rot. Bonds11

About 2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide

2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 106336845) has the molecular formula C10H23N3O4S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
PubChem CID106336845
Molecular FormulaC10H23N3O4S
Molecular Weight281.38 g/mol
Exact Mass281.14
IUPAC Name2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCCCNS(C)(=O)=O
InChIInChI=1S/C10H23N3O4S/c1-17-8-4-6-12-10(14)9-11-5-3-7-13-18(2,15)16/h11,13H,3-9H2,1-2H3,(H,12,14)
InChIKeyAIEMUVZKQNUYIC-UHFFFAOYSA-N
XLogP-1.33
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 5-1.33
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-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
2-(2-ethoxyethylamino)-N-(3-methoxypropyl)acetamide
CID 61486039
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide
CID 114151909
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
CID 106340083
1-[3-(methanesulfonamido)propyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111406998
2-(2-methoxyethylamino)-N-methylsulfonylacetamide
CID 103287494

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide (CID 106336845) is 2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNCCCNS(C)(=O)=O.
What is the InChIKey of 2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is AIEMUVZKQNUYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O4S/c1-17-8-4-6-12-10(14)9-11-5-3-7-13-18(2,15)16/h11,13H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide?
2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 281.38 g/mol, XLogP of -1.33, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 106336845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).