N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide

C9H20N2O4S — CID 30464648

IUPACN-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCCOCCCNC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-4-15-7-5-6-10-9(12)8-11(2)16(3,13)14/h4-8H2,1-3H3,(H,10,12)
InChIKeyJPFXQLRSQQOEDP-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.58
Rot. Bonds8

About N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide

N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 30464648) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID30464648
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC NameN-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCCOCCCNC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-4-15-7-5-6-10-9(12)8-11(2)16(3,13)14/h4-8H2,1-3H3,(H,10,12)
InChIKeyJPFXQLRSQQOEDP-UHFFFAOYSA-N
XLogP-0.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide (CID 30464648) is N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide is CCOCCCNC(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is JPFXQLRSQQOEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-15-7-5-6-10-9(12)8-11(2)16(3,13)14/h4-8H2,1-3H3,(H,10,12).
What are the key properties of N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide?
N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 252.34 g/mol, XLogP of -0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 30464648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).