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

C10H22N4O4S — CID 70945959

IUPAC2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid
SMILESNC(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)
InChIKeyLTZPEEJPDLAJNO-UHFFFAOYSA-N
MW294.38 g/mol
LogP-1.79
Rot. Bonds8

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

2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid (PubChem CID 70945959) has the molecular formula C10H22N4O4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid
PubChem CID70945959
Molecular FormulaC10H22N4O4S
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC Name2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid
SMILESNC(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)
InChIKeyLTZPEEJPDLAJNO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid?
The IUPAC name of 2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid (CID 70945959) is 2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid is NC(CCNS(=O)(=O)NCC1CCNCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid?
The InChIKey is LTZPEEJPDLAJNO-UHFFFAOYSA-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).
What are the key properties of 2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid?
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 2-amino-4-(piperidin-4-ylmethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 70945959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).