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

C10H22N4O4S — CID 70945821

IUPAC(2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid
SMILESCN(C)C1CCN(S(=O)(=O)NC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C10H22N4O4S/c1-13(2)8-3-5-14(6-4-8)19(17,18)12-7-9(11)10(15)16/h8-9,12H,3-7,11H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyIVBAGYWBHFJHPK-VIFPVBQESA-N
MW294.38 g/mol
LogP-1.74
Rot. Bonds6

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

(2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid (PubChem CID 70945821) has the molecular formula C10H22N4O4S and a molecular weight of 294.38 g/mol. Its IUPAC name is (2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid
PubChem CID70945821
Molecular FormulaC10H22N4O4S
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC Name(2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid
SMILESCN(C)C1CCN(S(=O)(=O)NC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C10H22N4O4S/c1-13(2)8-3-5-14(6-4-8)19(17,18)12-7-9(11)10(15)16/h8-9,12H,3-7,11H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyIVBAGYWBHFJHPK-VIFPVBQESA-N
XLogP-1.74
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid (CID 70945821) is (2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid is CN(C)C1CCN(S(=O)(=O)NC[C@H](N)C(=O)O)CC1.
What is the InChIKey of (2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid?
The InChIKey is IVBAGYWBHFJHPK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N4O4S/c1-13(2)8-3-5-14(6-4-8)19(17,18)12-7-9(11)10(15)16/h8-9,12H,3-7,11H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid?
(2S)-2-amino-3-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid has a molecular weight of 294.38 g/mol, XLogP of -1.74, 6 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-(dimethylamino)piperidin-1-yl]sulfonylamino]propanoic acid is sourced from PubChem (CID 70945821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).