N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide

C16H26N4O2S — CID 72926770

IUPACN-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H]1CN(Cc2nccnc2C)C[C@@H]1C1CC1
InChIInChI=1S/C16H26N4O2S/c1-3-8-23(21,22)19-16-11-20(9-14(16)13-4-5-13)10-15-12(2)17-6-7-18-15/h6-7,13-14,16,19H,3-5,8-11H2,1-2H3/t14-,16+/m1/s1
InChIKeyLJPCHAAIBNVADX-ZBFHGGJFSA-N
MW338.48 g/mol
LogP1.32
Rot. Bonds7

About N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide

N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 72926770) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID72926770
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H]1CN(Cc2nccnc2C)C[C@@H]1C1CC1
InChIInChI=1S/C16H26N4O2S/c1-3-8-23(21,22)19-16-11-20(9-14(16)13-4-5-13)10-15-12(2)17-6-7-18-15/h6-7,13-14,16,19H,3-5,8-11H2,1-2H3/t14-,16+/m1/s1
InChIKeyLJPCHAAIBNVADX-ZBFHGGJFSA-N
XLogP1.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide (CID 72926770) is N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@H]1CN(Cc2nccnc2C)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is LJPCHAAIBNVADX-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-3-8-23(21,22)19-16-11-20(9-14(16)13-4-5-13)10-15-12(2)17-6-7-18-15/h6-7,13-14,16,19H,3-5,8-11H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide?
N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 338.48 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 72926770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).