(2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide

C11H22N4O3S — CID 56704205

IUPAC(2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H22N4O3S/c1-13-11(16)10-7-9(12)8-15(10)19(17,18)14-5-3-2-4-6-14/h9-10H,2-8,12H2,1H3,(H,13,16)/t9-,10-/m0/s1
InChIKeyWGGWPIPGLZTYNM-UWVGGRQHSA-N
MW290.39 g/mol
LogP-1.14
Rot. Bonds3

About (2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 56704205) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID56704205
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name(2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H22N4O3S/c1-13-11(16)10-7-9(12)8-15(10)19(17,18)14-5-3-2-4-6-14/h9-10H,2-8,12H2,1H3,(H,13,16)/t9-,10-/m0/s1
InChIKeyWGGWPIPGLZTYNM-UWVGGRQHSA-N
XLogP-1.14
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide (CID 56704205) is (2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WGGWPIPGLZTYNM-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-13-11(16)10-7-9(12)8-15(10)19(17,18)14-5-3-2-4-6-14/h9-10H,2-8,12H2,1H3,(H,13,16)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-methyl-1-piperidin-1-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56704205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).