2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid

C10H19N3O4S — CID 107424652

IUPAC2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCCC(C#N)S(=O)(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C10H19N3O4S/c1-4-9(7-11)18(16,17)13(8-10(14)15)6-5-12(2)3/h9H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyZZGFNLWIFKYLPV-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.43
Rot. Bonds8

About 2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid

2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 107424652) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID107424652
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCCC(C#N)S(=O)(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C10H19N3O4S/c1-4-9(7-11)18(16,17)13(8-10(14)15)6-5-12(2)3/h9H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyZZGFNLWIFKYLPV-UHFFFAOYSA-N
XLogP-0.43
TPSA101.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 81056590
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
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2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
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2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
CID 3615000
2-[1-cyanoethylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258644
1-cyano-N,N-dioctylheptane-1-sulfonamide
CID 151178952
2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid
CID 107426132
2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
CID 103802734
2-[dipropylsulfamoyl(ethyl)amino]acetic acid
CID 54900712
2-[2-(dimethylamino)ethyl-(3-methoxypropylsulfonyl)amino]acetic acid
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2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid
CID 55245356

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid (CID 107424652) is 2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid is CCC(C#N)S(=O)(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is ZZGFNLWIFKYLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-4-9(7-11)18(16,17)13(8-10(14)15)6-5-12(2)3/h9H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 277.35 g/mol, XLogP of -0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanopropylsulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 107424652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).