(2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide

C14H25N5O3S — CID 70788230

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1ccnn1CC
InChIInChI=1S/C14H25N5O3S/c1-4-17(5-2)14(20)12-9-11(15)10-19(12)23(21,22)13-7-8-16-18(13)6-3/h7-8,11-12H,4-6,9-10,15H2,1-3H3/t11-,12-/m0/s1
InChIKeyDLAAAHYNFLGOFX-RYUDHWBXSA-N
MW343.45 g/mol
LogP-0.14
Rot. Bonds6

About (2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 70788230) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID70788230
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1ccnn1CC
InChIInChI=1S/C14H25N5O3S/c1-4-17(5-2)14(20)12-9-11(15)10-19(12)23(21,22)13-7-8-16-18(13)6-3/h7-8,11-12H,4-6,9-10,15H2,1-3H3/t11-,12-/m0/s1
InChIKeyDLAAAHYNFLGOFX-RYUDHWBXSA-N
XLogP-0.14
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide (CID 70788230) is (2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1ccnn1CC.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is DLAAAHYNFLGOFX-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-4-17(5-2)14(20)12-9-11(15)10-19(12)23(21,22)13-7-8-16-18(13)6-3/h7-8,11-12H,4-6,9-10,15H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,N-diethyl-1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70788230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).