2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide

C7H16N4O4S — CID 62924113

IUPAC2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide
SMILESNCCCS(=O)(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C7H16N4O4S/c8-2-1-3-16(14,15)11(4-6(9)12)5-7(10)13/h1-5,8H2,(H2,9,12)(H2,10,13)
InChIKeyVJUCGBFATXOYHR-UHFFFAOYSA-N
MW252.30 g/mol
LogP-3.06
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide

2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide (PubChem CID 62924113) has the molecular formula C7H16N4O4S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide
PubChem CID62924113
Molecular FormulaC7H16N4O4S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide
SMILESNCCCS(=O)(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C7H16N4O4S/c8-2-1-3-16(14,15)11(4-6(9)12)5-7(10)13/h1-5,8H2,(H2,9,12)(H2,10,13)
InChIKeyVJUCGBFATXOYHR-UHFFFAOYSA-N
XLogP-3.06
TPSA149.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-3.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide (CID 62924113) is 2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide is NCCCS(=O)(=O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide?
The InChIKey is VJUCGBFATXOYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O4S/c8-2-1-3-16(14,15)11(4-6(9)12)5-7(10)13/h1-5,8H2,(H2,9,12)(H2,10,13).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide has a molecular weight of 252.30 g/mol, XLogP of -3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide is sourced from PubChem (CID 62924113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).