(2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide

C13H23N5O3S — CID 56718288

IUPAC(2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1cnn(CC)c1C
InChIInChI=1S/C13H23N5O3S/c1-4-15-13(19)11-6-10(14)8-18(11)22(20,21)12-7-16-17(5-2)9(12)3/h7,10-11H,4-6,8,14H2,1-3H3,(H,15,19)/t10-,11-/m0/s1
InChIKeyUEQSUEWRQQRPKU-QWRGUYRKSA-N
MW329.43 g/mol
LogP-0.56
Rot. Bonds5

About (2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 56718288) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID56718288
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1cnn(CC)c1C
InChIInChI=1S/C13H23N5O3S/c1-4-15-13(19)11-6-10(14)8-18(11)22(20,21)12-7-16-17(5-2)9(12)3/h7,10-11H,4-6,8,14H2,1-3H3,(H,15,19)/t10-,11-/m0/s1
InChIKeyUEQSUEWRQQRPKU-QWRGUYRKSA-N
XLogP-0.56
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide (CID 56718288) is (2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1cnn(CC)c1C.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is UEQSUEWRQQRPKU-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-4-15-13(19)11-6-10(14)8-18(11)22(20,21)12-7-16-17(5-2)9(12)3/h7,10-11H,4-6,8,14H2,1-3H3,(H,15,19)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56718288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).