(2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide

C12H21N5O3S — CID 70706421

IUPAC(2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCn1nccc1S(=O)(=O)N1C[C@H](N)C[C@H]1C(=O)NC
InChIInChI=1S/C12H21N5O3S/c1-3-6-16-11(4-5-15-16)21(19,20)17-8-9(13)7-10(17)12(18)14-2/h4-5,9-10H,3,6-8,13H2,1-2H3,(H,14,18)/t9-,10+/m1/s1
InChIKeyRBTSPLASHPJUNK-ZJUUUORDSA-N
MW315.40 g/mol
LogP-0.87
Rot. Bonds5

About (2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 70706421) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID70706421
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name(2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCn1nccc1S(=O)(=O)N1C[C@H](N)C[C@H]1C(=O)NC
InChIInChI=1S/C12H21N5O3S/c1-3-6-16-11(4-5-15-16)21(19,20)17-8-9(13)7-10(17)12(18)14-2/h4-5,9-10H,3,6-8,13H2,1-2H3,(H,14,18)/t9-,10+/m1/s1
InChIKeyRBTSPLASHPJUNK-ZJUUUORDSA-N
XLogP-0.87
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide (CID 70706421) is (2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide is CCCn1nccc1S(=O)(=O)N1C[C@H](N)C[C@H]1C(=O)NC.
What is the InChIKey of (2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is RBTSPLASHPJUNK-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-3-6-16-11(4-5-15-16)21(19,20)17-8-9(13)7-10(17)12(18)14-2/h4-5,9-10H,3,6-8,13H2,1-2H3,(H,14,18)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-methyl-1-(2-propylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70706421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).