(2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid

C8H18N4O4S — CID 70945285

IUPAC(2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid
SMILESCN1CCN(S(=O)(=O)NC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C8H18N4O4S/c1-11-2-4-12(5-3-11)17(15,16)10-6-7(9)8(13)14/h7,10H,2-6,9H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyPYRZRXSLHFXDCZ-ZETCQYMHSA-N
MW266.32 g/mol
LogP-2.52
Rot. Bonds5

About (2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid

(2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid (PubChem CID 70945285) has the molecular formula C8H18N4O4S and a molecular weight of 266.32 g/mol. Its IUPAC name is (2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid
PubChem CID70945285
Molecular FormulaC8H18N4O4S
Molecular Weight266.32 g/mol
Exact Mass266.10
IUPAC Name(2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid
SMILESCN1CCN(S(=O)(=O)NC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C8H18N4O4S/c1-11-2-4-12(5-3-11)17(15,16)10-6-7(9)8(13)14/h7,10H,2-6,9H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyPYRZRXSLHFXDCZ-ZETCQYMHSA-N
XLogP-2.52
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-2.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

H-Dap 2-(4-methyl-piperazin-1-yl)-ethylamine TFA salt
CID 131740715
2-Amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
(2S)-2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 15347150
3-Methyl-2-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 18917911
(2S)-3-methyl-2-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 54532915
3-Amino-2-(4-ethylpiperazin-1-yl)propanoic acid
CID 64693342
3-Amino-2-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 64694816
(2R)-3-amino-2-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 66870714
(2S)-3-amino-2-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 66870715
(2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid
CID 66870719
(2S)-3-amino-2-(4-methylsulfonylpiperazin-1-yl)propanoic acid;hydrochloride
CID 67056904
(2S)-2-amino-3-[(4-methyl-1,4-diazepan-1-yl)sulfonylamino]propanoic acid
CID 67154468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid (CID 70945285) is (2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid is CN1CCN(S(=O)(=O)NC[C@H](N)C(=O)O)CC1.
What is the InChIKey of (2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is PYRZRXSLHFXDCZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N4O4S/c1-11-2-4-12(5-3-11)17(15,16)10-6-7(9)8(13)14/h7,10H,2-6,9H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid?
(2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of -2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(4-methylpiperazin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 70945285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).