(2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid

C10H22N4O4S — CID 70945957

IUPAC(2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)NCC1CCNCC1)C(=O)O
InChIInChI=1S/C10H22N4O4S/c11-9(10(15)16)3-6-13-19(17,18)14-7-8-1-4-12-5-2-8/h8-9,12-14H,1-7,11H2,(H,15,16)/t9-/m0/s1
InChIKeyLTZPEEJPDLAJNO-VIFPVBQESA-N
MW294.38 g/mol
LogP-1.79
Rot. Bonds8

About (2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid

(2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid (PubChem CID 70945957) has the molecular formula C10H22N4O4S and a molecular weight of 294.38 g/mol. Its IUPAC name is (2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid
PubChem CID70945957
Molecular FormulaC10H22N4O4S
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC Name(2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)NCC1CCNCC1)C(=O)O
InChIInChI=1S/C10H22N4O4S/c11-9(10(15)16)3-6-13-19(17,18)14-7-8-1-4-12-5-2-8/h8-9,12-14H,1-7,11H2,(H,15,16)/t9-/m0/s1
InChIKeyLTZPEEJPDLAJNO-VIFPVBQESA-N
XLogP-1.79
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-1.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 81065565
1-(4,4,4-Trifluorobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 105928905
2-Amino-4-(4-methylpiperidin-1-yl)butanoic acid
CID 63028555
(2S)-2-amino-3-(piperidin-4-ylmethylsulfamoylamino)propanoic acid
CID 67154837
2-Amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
CID 67154841
(2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
CID 67154842
(2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid
CID 70944788
2-Amino-4-(piperazin-1-ylsulfonylamino)butanoic acid
CID 70944789
2-Amino-3-(piperidin-4-ylmethylsulfamoylamino)propanoic acid
CID 70945592
(2S)-2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945673
2-Amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
(2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
CID 70945795

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid (CID 70945957) is (2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid is N[C@@H](CCNS(=O)(=O)NCC1CCNCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid?
The InChIKey is LTZPEEJPDLAJNO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N4O4S/c11-9(10(15)16)3-6-13-19(17,18)14-7-8-1-4-12-5-2-8/h8-9,12-14H,1-7,11H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid?
(2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid has a molecular weight of 294.38 g/mol, XLogP of -1.79, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 70945957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).