(2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid

C8H20N4O4S — CID 87289680

IUPAC(2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid
SMILESCN(C)CCNS(=O)(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C8H20N4O4S/c1-12(2)6-5-11-17(15,16)10-4-3-7(9)8(13)14/h7,10-11H,3-6,9H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyMTTCIPHOCYUSDX-ZETCQYMHSA-N
MW268.34 g/mol
LogP-2.23
Rot. Bonds9

About (2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid

(2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid (PubChem CID 87289680) has the molecular formula C8H20N4O4S and a molecular weight of 268.34 g/mol. Its IUPAC name is (2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid
PubChem CID87289680
Molecular FormulaC8H20N4O4S
Molecular Weight268.34 g/mol
Exact Mass268.12
IUPAC Name(2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid
SMILESCN(C)CCNS(=O)(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C8H20N4O4S/c1-12(2)6-5-11-17(15,16)10-4-3-7(9)8(13)14/h7,10-11H,3-6,9H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyMTTCIPHOCYUSDX-ZETCQYMHSA-N
XLogP-2.23
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-[[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylamino]butanoic acid
CID 67154839
(2S)-2-amino-4-[(4-methyl-1,4-diazepan-1-yl)sulfonylamino]butanoic acid
CID 67154946
(2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid
CID 70944788
2-Amino-4-(piperazin-1-ylsulfonylamino)butanoic acid
CID 70944789
(2S)-2-amino-4-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 70945315
2-Amino-4-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 70945316
(2S)-4-[(4-acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid
CID 70945464
4-[(4-Acetylpiperazin-1-yl)sulfonylamino]-2-aminobutanoic acid
CID 70945465
2-Amino-4-[(4-methyl-1,4-diazepan-1-yl)sulfonylamino]butanoic acid
CID 70945703
(2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
CID 70945795
2-Amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
CID 70945797
(2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid
CID 70945955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid (CID 87289680) is (2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid is CN(C)CCNS(=O)(=O)NCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid?
The InChIKey is MTTCIPHOCYUSDX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H20N4O4S/c1-12(2)6-5-11-17(15,16)10-4-3-7(9)8(13)14/h7,10-11H,3-6,9H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid?
(2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid has a molecular weight of 268.34 g/mol, XLogP of -2.23, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoylamino]butanoic acid is sourced from PubChem (CID 87289680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).